(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide

C16H24N4O3 — CID 94066498

IUPAC(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H24N4O3/c1-13-12-23-9-6-20(13)16(21)18-11-14-2-3-17-15(10-14)19-4-7-22-8-5-19/h2-3,10,13H,4-9,11-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyABZQZJQNNCURJN-ZDUSSCGKSA-N
MW320.39 g/mol
LogP0.85
Rot. Bonds3

About (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide

(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide (PubChem CID 94066498) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
PubChem CID94066498
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H24N4O3/c1-13-12-23-9-6-20(13)16(21)18-11-14-2-3-17-15(10-14)19-4-7-22-8-5-19/h2-3,10,13H,4-9,11-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyABZQZJQNNCURJN-ZDUSSCGKSA-N
XLogP0.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 94180412
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
(3S)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylmorpholine-4-carboxamide
CID 94030908
2-(1-methylpyrrol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 55794667
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide (CID 94066498) is (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide is C[C@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide?
The InChIKey is ABZQZJQNNCURJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13-12-23-9-6-20(13)16(21)18-11-14-2-3-17-15(10-14)19-4-7-22-8-5-19/h2-3,10,13H,4-9,11-12H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94066498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).