3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide

C21H19N3O2 — CID 24595212

IUPAC3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C21H19N3O2/c25-20(15-5-6-15)24-19-12-17-4-2-1-3-16(17)11-18(19)21(26)23-13-14-7-9-22-10-8-14/h1-4,7-12,15H,5-6,13H2,(H,23,26)(H,24,25)
InChIKeyDUJDDXJFPDEKNN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.51
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide (PubChem CID 24595212) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
PubChem CID24595212
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C21H19N3O2/c25-20(15-5-6-15)24-19-12-17-4-2-1-3-16(17)11-18(19)21(26)23-13-14-7-9-22-10-8-14/h1-4,7-12,15H,5-6,13H2,(H,23,26)(H,24,25)
InChIKeyDUJDDXJFPDEKNN-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
3-(cyclopropanecarbonylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 25430851
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide
CID 24595739
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
CID 86923799

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide (CID 24595212) is 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide is O=C(NCc1ccncc1)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is DUJDDXJFPDEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(15-5-6-15)24-19-12-17-4-2-1-3-16(17)11-18(19)21(26)23-13-14-7-9-22-10-8-14/h1-4,7-12,15H,5-6,13H2,(H,23,26)(H,24,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 24595212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).