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

C26H26N6O3 — CID 58973420

IUPACN-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
InChIKeySBMZVMAQHHRTLR-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.28
Rot. Bonds7

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

N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 58973420) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID58973420
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
InChIKeySBMZVMAQHHRTLR-UHFFFAOYSA-N
XLogP3.28
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973457
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 158282571
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
3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 162066010
[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
CID 69366219
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-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973391
methyl 2-[[6-(cyclobutylmethylcarbamoyl)-5-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-2-pyridinyl]oxy]acetate
CID 16737680
N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
CID 16735447
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16735933
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-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 58973420) is N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is SBMZVMAQHHRTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33).
What are the key properties of N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 58973420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).