4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide

C24H30N8O2 — CID 170433984

IUPAC4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)N3CCC(C(C)(C)C)CC3)cc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H30N8O2/c1-15-5-8-20(25-14-15)27-22(33)18-7-6-17(13-19(18)21-28-30-31-29-21)26-23(34)32-11-9-16(10-12-32)24(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,26,34)(H,25,27,33)(H,28,29,30,31)
InChIKeyYWCAFKLXBCLDMA-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.11
Rot. Bonds4

About 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide

4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide (PubChem CID 170433984) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
PubChem CID170433984
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)N3CCC(C(C)(C)C)CC3)cc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H30N8O2/c1-15-5-8-20(25-14-15)27-22(33)18-7-6-17(13-19(18)21-28-30-31-29-21)26-23(34)32-11-9-16(10-12-32)24(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,26,34)(H,25,27,33)(H,28,29,30,31)
InChIKeyYWCAFKLXBCLDMA-UHFFFAOYSA-N
XLogP4.11
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-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

4-tert-butyl-N-[4-(3,4-dihydro-2H-pyran-4-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170433983
N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide
CID 170563741
4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170434075
N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
CID 170434577
2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110204423
4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
CID 167816233
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
1-(4-tert-butylcyclohexyl)-3-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methylurea
CID 170434097
4-tert-butyl-N-[6-chloro-1-methoxy-4-phenyl-5-(2H-tetrazol-5-yl)cyclohexa-2,4-dien-1-yl]piperidine-1-carboxamide
CID 175499245
[5-methyl-2-(2H-tetrazol-5-yl)phenyl]-[(2S)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 162596218
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360
3-[6-[[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68960336

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide (CID 170433984) is 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCC(C(C)(C)C)CC3)cc2-c2nn[nH]n2)nc1.
What is the InChIKey of 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is YWCAFKLXBCLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-15-5-8-20(25-14-15)27-22(33)18-7-6-17(13-19(18)21-28-30-31-29-21)26-23(34)32-11-9-16(10-12-32)24(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,26,34)(H,25,27,33)(H,28,29,30,31).
What are the key properties of 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 170433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).