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

C25H24N6O2 — CID 11532254

IUPACN-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32)
InChIKeyHNBWPZHTNYWHBV-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.66
Rot. Bonds7

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

N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 11532254) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID11532254
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32)
InChIKeyHNBWPZHTNYWHBV-UHFFFAOYSA-N
XLogP3.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 11532254) is N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is HNBWPZHTNYWHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32).
What are the key properties of N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 11532254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).