N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide

C22H25N7O2 — CID 3213133

IUPACN-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccncc3)cc2)n1
InChIInChI=1S/C22H25N7O2/c1-15-4-2-3-5-19(15)25-20(30)14-29-27-21(26-28-29)16-6-8-18(9-7-16)24-22(31)17-10-12-23-13-11-17/h6-13,15,19H,2-5,14H2,1H3,(H,24,31)(H,25,30)
InChIKeyBMIWPZRYUXZLBB-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.68
Rot. Bonds6

About N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide

N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 3213133) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
PubChem CID3213133
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccncc3)cc2)n1
InChIInChI=1S/C22H25N7O2/c1-15-4-2-3-5-19(15)25-20(30)14-29-27-21(26-28-29)16-6-8-18(9-7-16)24-22(31)17-10-12-23-13-11-17/h6-13,15,19H,2-5,14H2,1H3,(H,24,31)(H,25,30)
InChIKeyBMIWPZRYUXZLBB-UHFFFAOYSA-N
XLogP2.68
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120575453
2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 23990381
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide (CID 3213133) is N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide is CC1CCCCC1NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccncc3)cc2)n1.
What is the InChIKey of N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is BMIWPZRYUXZLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-15-4-2-3-5-19(15)25-20(30)14-29-27-21(26-28-29)16-6-8-18(9-7-16)24-22(31)17-10-12-23-13-11-17/h6-13,15,19H,2-5,14H2,1H3,(H,24,31)(H,25,30).
What are the key properties of N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide?
N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 3213133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).