N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide

C20H30N4O4 — CID 124977974

IUPACN-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)c1cccnc1
InChIInChI=1S/C20H30N4O4/c25-18(4-8-22-19(26)17-3-1-7-21-15-17)24-9-2-5-20(27,6-10-24)16-23-11-13-28-14-12-23/h1,3,7,15,27H,2,4-6,8-14,16H2,(H,22,26)/t20-/m0/s1
InChIKeyLQNXCYBCSUROOM-FQEVSTJZSA-N
MW390.48 g/mol
LogP0.28
Rot. Bonds6

About N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide

N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 124977974) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
PubChem CID124977974
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)c1cccnc1
InChIInChI=1S/C20H30N4O4/c25-18(4-8-22-19(26)17-3-1-7-21-15-17)24-9-2-5-20(27,6-10-24)16-23-11-13-28-14-12-23/h1,3,7,15,27H,2,4-6,8-14,16H2,(H,22,26)/t20-/m0/s1
InChIKeyLQNXCYBCSUROOM-FQEVSTJZSA-N
XLogP0.28
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
1-[(4R)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 124953343
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
4-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-4-oxobutanamide
CID 124971416
2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 125008475
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125011424
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123120
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide (CID 124977974) is N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide is O=C(NCCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)c1cccnc1.
What is the InChIKey of N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is LQNXCYBCSUROOM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O4/c25-18(4-8-22-19(26)17-3-1-7-21-15-17)24-9-2-5-20(27,6-10-24)16-23-11-13-28-14-12-23/h1,3,7,15,27H,2,4-6,8-14,16H2,(H,22,26)/t20-/m0/s1.
What are the key properties of N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide?
N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 124977974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).