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

C24H30N4O2 — CID 90011322

IUPACN-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCCC(C)CC(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C24H30N4O2/c1-3-17(2)11-23(29)27-13-20(14-27)18-6-8-22(9-7-18)26-24(30)28-15-21(16-28)19-5-4-10-25-12-19/h4-10,12,17,20-21H,3,11,13-16H2,1-2H3,(H,26,30)
InChIKeyUDQPRIFMIKRLTE-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.07
Rot. Bonds6

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

N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011322) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID90011322
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCCC(C)CC(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C24H30N4O2/c1-3-17(2)11-23(29)27-13-20(14-27)18-6-8-22(9-7-18)26-24(30)28-15-21(16-28)19-5-4-10-25-12-19/h4-10,12,17,20-21H,3,11,13-16H2,1-2H3,(H,26,30)
InChIKeyUDQPRIFMIKRLTE-UHFFFAOYSA-N
XLogP4.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010905
N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011224
N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010961
N-[4-[(3S)-1-[(2S)-2-methylbutanoyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 86288688
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011465
N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011196
N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011545
N-[4-[(1S)-1-(oxane-4-carbonylamino)ethyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 155567000
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-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 97278305
N-[4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011040

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011322) is N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CCC(C)CC(=O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1.
What is the InChIKey of N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is UDQPRIFMIKRLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-17(2)11-23(29)27-13-20(14-27)18-6-8-22(9-7-18)26-24(30)28-15-21(16-28)19-5-4-10-25-12-19/h4-10,12,17,20-21H,3,11,13-16H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).