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

C27H26N4O2 — CID 11655065

IUPACN-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
InChIKeyMXHPCVFJFJSCMB-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.87
Rot. Bonds7

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

N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 11655065) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID11655065
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
InChIKeyMXHPCVFJFJSCMB-UHFFFAOYSA-N
XLogP4.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 11655065) is N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is MXHPCVFJFJSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32).
What are the key properties of N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 11655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).