methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate

C21H17N5O3 — CID 58973318

IUPACmethyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C21H17N5O3/c1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17/h2-12H,13H2,1H3,(H,24,27)
InChIKeyJANIAKSZFCVIDZ-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.91
Rot. Bonds5

About methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate

methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 58973318) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
PubChem CID58973318
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Namemethyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C21H17N5O3/c1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17/h2-12H,13H2,1H3,(H,24,27)
InChIKeyJANIAKSZFCVIDZ-UHFFFAOYSA-N
XLogP2.91
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexylmethyl)-6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxamide
CID 57780750
6-methoxy-N-(cyclobutylmethyl)-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]-amino}pyridine-2-carboxamide
CID 57780760
N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11532254
6-methoxy-N-(tetrahydro-2H-pyran-4-ylmethyl)-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxamide
CID 16738321
N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973398
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
(R)-(8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate
CID 45486014
methyl 4-[1-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
CID 162666448
(R)-(4-benzyl-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate
CID 45486077
(R)-(4-(4-methylbenzyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate
CID 45486080
US9828369, Example 9
CID 118928817
US9828369, Example 7
CID 130446691

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate (CID 58973318) is methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.
What is the InChIKey of methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is JANIAKSZFCVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-29-21(28)19-18(7-4-10-22-19)24-20(27)17-9-8-14(13-26-12-11-23-25-26)15-5-2-3-6-16(15)17/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate?
methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 387.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 58973318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).