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

C26H25N5O2 — CID 11683612

IUPACN-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12
InChIInChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32)
InChIKeyWPWIYVXRDZNMPU-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.26
Rot. Bonds7

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

N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 11683612) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID11683612
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12
InChIInChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32)
InChIKeyWPWIYVXRDZNMPU-UHFFFAOYSA-N
XLogP4.26
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 11683612) is N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is WPWIYVXRDZNMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32).
What are the key properties of N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 11683612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).