4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide

C21H23N5O2 — CID 137274775

IUPAC4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-4-22-21(28)16-7-5-15(6-8-16)11-23-18-10-9-17(12-24-18)19-25-14(3)13(2)20(27)26-19/h5-10,12H,4,11H2,1-3H3,(H,22,28)(H,23,24)(H,25,26,27)
InChIKeyJWMIRFPVNLDZBX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.81
Rot. Bonds6

About 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide

4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide (PubChem CID 137274775) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
PubChem CID137274775
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-4-22-21(28)16-7-5-15(6-8-16)11-23-18-10-9-17(12-24-18)19-25-14(3)13(2)20(27)26-19/h5-10,12H,4,11H2,1-3H3,(H,22,28)(H,23,24)(H,25,26,27)
InChIKeyJWMIRFPVNLDZBX-UHFFFAOYSA-N
XLogP2.81
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide with MolForge

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Related Compounds

2-[6-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275219
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 137275001
2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275396
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide (CID 137274775) is 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cc1.
What is the InChIKey of 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is JWMIRFPVNLDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-22-21(28)16-7-5-15(6-8-16)11-23-18-10-9-17(12-24-18)19-25-14(3)13(2)20(27)26-19/h5-10,12H,4,11H2,1-3H3,(H,22,28)(H,23,24)(H,25,26,27).
What are the key properties of 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 137274775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).