N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide

C23H29N7O3 — CID 168846703

IUPACN-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2cnnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C23H29N7O3/c1-14-20(15(2)33-28-14)17-10-11-19(24-12-17)26-23(32)21(16-8-6-4-5-7-9-16)27-22(31)18-13-25-29-30(18)3/h10-13,16,21H,4-9H2,1-3H3,(H,27,31)(H,24,26,32)
InChIKeyAYKWZRXKOKBRNI-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.19
Rot. Bonds6

About N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide

N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide (PubChem CID 168846703) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
PubChem CID168846703
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2cnnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C23H29N7O3/c1-14-20(15(2)33-28-14)17-10-11-19(24-12-17)26-23(32)21(16-8-6-4-5-7-9-16)27-22(31)18-13-25-29-30(18)3/h10-13,16,21H,4-9H2,1-3H3,(H,27,31)(H,24,26,32)
InChIKeyAYKWZRXKOKBRNI-UHFFFAOYSA-N
XLogP3.19
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 162362366
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362202
N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 168846669
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 162362423
N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362316
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
tert-butyl N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(2,4,5-trimethylpyrazol-3-yl)-2-pyridinyl]amino]ethyl]carbamate
CID 167525659
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 175433039

Frequently Asked Questions

What is the IUPAC name of N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide?
The IUPAC name of N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide (CID 168846703) is N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide?
The canonical SMILES for N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide is Cc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2cnnn2C)C2CCCCCC2)nc1.
What is the InChIKey of N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide?
The InChIKey is AYKWZRXKOKBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-14-20(15(2)33-28-14)17-10-11-19(24-12-17)26-23(32)21(16-8-6-4-5-7-9-16)27-22(31)18-13-25-29-30(18)3/h10-13,16,21H,4-9H2,1-3H3,(H,27,31)(H,24,26,32).
What are the key properties of N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide?
N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide is sourced from PubChem (CID 168846703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).