N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide

C24H25N3O2 — CID 11653936

IUPACN-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
InChIKeyPBTDQKYISORJJJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.80
Rot. Bonds5

About N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide

N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide (PubChem CID 11653936) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
PubChem CID11653936
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
InChIKeyPBTDQKYISORJJJ-UHFFFAOYSA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide (CID 11653936) is N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide is O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
The InChIKey is PBTDQKYISORJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28).
What are the key properties of N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide?
N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11653936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).