N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide

C16H14N2O — CID 110440178

IUPACN-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2O/c19-16(18-11-13-7-4-10-17-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17H,11H2,(H,18,19)
InChIKeyIINQFZMZWJOGBA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.10
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide

N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide (PubChem CID 110440178) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
PubChem CID110440178
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2O/c19-16(18-11-13-7-4-10-17-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17H,11H2,(H,18,19)
InChIKeyIINQFZMZWJOGBA-UHFFFAOYSA-N
XLogP3.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 110489587
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
CID 4056406
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
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CID 110374911

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide (CID 110440178) is N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide is O=C(NCc1ccc[nH]1)c1cccc2ccccc12.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is IINQFZMZWJOGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(18-11-13-7-4-10-17-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17H,11H2,(H,18,19).
What are the key properties of N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide?
N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 110440178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).