4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide

C26H25N7O3 — CID 68977285

IUPAC4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cc(CC2CCC2)c(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(C(N)=O)n1
InChIInChI=1S/C26H25N7O3/c27-24(34)21-13-17(12-15-4-3-5-15)22(23(30-21)25(28)35)31-26(36)20-9-8-16(14-33-11-10-29-32-33)18-6-1-2-7-19(18)20/h1-2,6-11,13,15H,3-5,12,14H2,(H2,27,34)(H2,28,35)(H,31,36)
InChIKeyUPSFLADPTSRDOM-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.67
Rot. Bonds8

About 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide

4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide (PubChem CID 68977285) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide
PubChem CID68977285
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cc(CC2CCC2)c(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(C(N)=O)n1
InChIInChI=1S/C26H25N7O3/c27-24(34)21-13-17(12-15-4-3-5-15)22(23(30-21)25(28)35)31-26(36)20-9-8-16(14-33-11-10-29-32-33)18-6-1-2-7-19(18)20/h1-2,6-11,13,15H,3-5,12,14H2,(H2,27,34)(H2,28,35)(H,31,36)
InChIKeyUPSFLADPTSRDOM-UHFFFAOYSA-N
XLogP2.67
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide (CID 68977285) is 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide is NC(=O)c1cc(CC2CCC2)c(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(C(N)=O)n1.
What is the InChIKey of 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide?
The InChIKey is UPSFLADPTSRDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c27-24(34)21-13-17(12-15-4-3-5-15)22(23(30-21)25(28)35)31-26(36)20-9-8-16(14-33-11-10-29-32-33)18-6-1-2-7-19(18)20/h1-2,6-11,13,15H,3-5,12,14H2,(H2,27,34)(H2,28,35)(H,31,36).
What are the key properties of 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide?
4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 68977285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).