N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C21H24N4O3 — CID 97278305

IUPACN-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
InChIInChI=1S/C21H24N4O3/c26-20(23-12-19-4-2-10-28-19)15-5-7-18(8-6-15)24-21(27)25-13-17(14-25)16-3-1-9-22-11-16/h1,3,5-9,11,17,19H,2,4,10,12-14H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyVNRDNVZWOIAFQX-IBGZPJMESA-N
MW380.45 g/mol
LogP2.62
Rot. Bonds5

About N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 97278305) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID97278305
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1
InChIInChI=1S/C21H24N4O3/c26-20(23-12-19-4-2-10-28-19)15-5-7-18(8-6-15)24-21(27)25-13-17(14-25)16-3-1-9-22-11-16/h1,3,5-9,11,17,19H,2,4,10,12-14H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyVNRDNVZWOIAFQX-IBGZPJMESA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010961
N-(oxolan-2-ylmethyl)-4-[2-(pyridin-3-ylamino)ethylcarbamoylamino]benzamide
CID 72875380
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011310

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 97278305) is N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1.
What is the InChIKey of N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is VNRDNVZWOIAFQX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(23-12-19-4-2-10-28-19)15-5-7-18(8-6-15)24-21(27)25-13-17(14-25)16-3-1-9-22-11-16/h1,3,5-9,11,17,19H,2,4,10,12-14H2,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 97278305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).