3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C27H45N5O3 — CID 163976973

IUPAC3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCN[C@H](C)C1=CN(CC)C(C(C)N2CCOCC2)=C(C)C1OCNCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C27H45N5O3/c1-8-29-21(6)24-16-31(9-2)25(22(7)32-10-12-34-13-11-32)20(5)26(24)35-17-28-15-23-18(3)14-19(4)30-27(23)33/h14,16,21-22,26,28-29H,8-13,15,17H2,1-7H3,(H,30,33)/t21-,22?,26?/m1/s1
InChIKeySVADNRNUGRSSHN-AGHUKTAOSA-N
MW487.69 g/mol
LogP2.64
Rot. Bonds11

About 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 163976973) has the molecular formula C27H45N5O3 and a molecular weight of 487.69 g/mol. Its IUPAC name is 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID163976973
Molecular FormulaC27H45N5O3
Molecular Weight487.69 g/mol
Exact Mass487.35
IUPAC Name3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCN[C@H](C)C1=CN(CC)C(C(C)N2CCOCC2)=C(C)C1OCNCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C27H45N5O3/c1-8-29-21(6)24-16-31(9-2)25(22(7)32-10-12-34-13-11-32)20(5)26(24)35-17-28-15-23-18(3)14-19(4)30-27(23)33/h14,16,21-22,26,28-29H,8-13,15,17H2,1-7H3,(H,30,33)/t21-,22?,26?/m1/s1
InChIKeySVADNRNUGRSSHN-AGHUKTAOSA-N
XLogP2.64
TPSA81.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Related Compounds

(6Z)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethenyl-6-ethylidene-3-methyl-2-(1-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 142300907
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 134340791
3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158363022
3-[[[3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methoxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 156547496
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(3,5-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733657
tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate
CID 142300541
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733684
N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 142367264
4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
CID 163379410
2-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733420
3-[[[6-[ethyl(oxan-4-yl)amino]-5-methyl-2-(1-methylpiperidin-4-yl)-1-benzofuran-4-yl]methoxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 155083954
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
CID 95977214

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 163976973) is 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is CCN[C@H](C)C1=CN(CC)C(C(C)N2CCOCC2)=C(C)C1OCNCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is SVADNRNUGRSSHN-AGHUKTAOSA-N. The full InChI is InChI=1S/C27H45N5O3/c1-8-29-21(6)24-16-31(9-2)25(22(7)32-10-12-34-13-11-32)20(5)26(24)35-17-28-15-23-18(3)14-19(4)30-27(23)33/h14,16,21-22,26,28-29H,8-13,15,17H2,1-7H3,(H,30,33)/t21-,22?,26?/m1/s1.
What are the key properties of 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 487.69 g/mol, XLogP of 2.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-ethyl-5-[(1R)-1-(ethylamino)ethyl]-3-methyl-2-(1-morpholin-4-ylethyl)-4H-pyridin-4-yl]oxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 163976973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).