N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C23H26N4O2 — CID 90011224

IUPACN-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1CC1C(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C23H26N4O2/c1-15-9-21(15)22(28)26-11-18(12-26)16-4-6-20(7-5-16)25-23(29)27-13-19(14-27)17-3-2-8-24-10-17/h2-8,10,15,18-19,21H,9,11-14H2,1H3,(H,25,29)
InChIKeyLXMRNHKUAWZIDY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.29
Rot. Bonds4

About N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011224) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID90011224
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1CC1C(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C23H26N4O2/c1-15-9-21(15)22(28)26-11-18(12-26)16-4-6-20(7-5-16)25-23(29)27-13-19(14-27)17-3-2-8-24-10-17/h2-8,10,15,18-19,21H,9,11-14H2,1H3,(H,25,29)
InChIKeyLXMRNHKUAWZIDY-UHFFFAOYSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011322
N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011465
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
N-[4-[1-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011053
N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010905
N-[4-[(1S)-1-(oxane-4-carbonylamino)ethyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 155567000
N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 97278305
N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011545
N-[4-[(3S)-1-[(2S)-2-methylbutanoyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 86288688
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011224) is N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CC1CC1C(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1.
What is the InChIKey of N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is LXMRNHKUAWZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-9-21(15)22(28)26-11-18(12-26)16-4-6-20(7-5-16)25-23(29)27-13-19(14-27)17-3-2-8-24-10-17/h2-8,10,15,18-19,21H,9,11-14H2,1H3,(H,25,29).
What are the key properties of N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).