N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide

C28H32N6O2 — CID 143144373

IUPACN-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)CC=CN=C1C(=O)NCC1CCCCC1
InChIInChI=1S/C28H32N6O2/c1-28(14-7-15-29-25(28)27(36)30-18-20-8-3-2-4-9-20)32-26(35)24-13-12-21(19-34-17-16-31-33-34)22-10-5-6-11-23(22)24/h5-7,10-13,15-17,20H,2-4,8-9,14,18-19H2,1H3,(H,30,36)(H,32,35)
InChIKeyVZSZXAANBWXFNP-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.02
Rot. Bonds7

About N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide

N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide (PubChem CID 143144373) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide
PubChem CID143144373
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)CC=CN=C1C(=O)NCC1CCCCC1
InChIInChI=1S/C28H32N6O2/c1-28(14-7-15-29-25(28)27(36)30-18-20-8-3-2-4-9-20)32-26(35)24-13-12-21(19-34-17-16-31-33-34)22-10-5-6-11-23(22)24/h5-7,10-13,15-17,20H,2-4,8-9,14,18-19H2,1H3,(H,30,36)(H,32,35)
InChIKeyVZSZXAANBWXFNP-UHFFFAOYSA-N
XLogP4.02
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-(cyclobutylmethylcarbamoyl)-5-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-2-pyridinyl]oxy]acetate
CID 16737680
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
CID 159712306
4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide
CID 68977285
N-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 58973371
6-[(E)-ethylidene(3,3,3-trifluoropropyl)-λ4-sulfanyl]oxy-N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 143467811
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16735933
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
CID 158184406
N-[3-(dimethylamino)propyl]-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
CID 161407564
N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973457
N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973391

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide (CID 143144373) is N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide is CC1(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)CC=CN=C1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide?
The InChIKey is VZSZXAANBWXFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-28(14-7-15-29-25(28)27(36)30-18-20-8-3-2-4-9-20)32-26(35)24-13-12-21(19-34-17-16-31-33-34)22-10-5-6-11-23(22)24/h5-7,10-13,15-17,20H,2-4,8-9,14,18-19H2,1H3,(H,30,36)(H,32,35).
What are the key properties of N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide?
N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methyl-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-4H-pyridine-2-carboxamide is sourced from PubChem (CID 143144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).