4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide

C17H18ClN3O2 — CID 78890683

IUPAC4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-8-19-15(9-13)17(22)21-11-12-5-6-16(20-10-12)23-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,21,22)
InChIKeyBSYIPBQPGSDLSV-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.38
Rot. Bonds5

About 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide

4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 78890683) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID78890683
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-8-19-15(9-13)17(22)21-11-12-5-6-16(20-10-12)23-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,21,22)
InChIKeyBSYIPBQPGSDLSV-UHFFFAOYSA-N
XLogP3.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55968094
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 78890683) is 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is BSYIPBQPGSDLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-7-8-19-15(9-13)17(22)21-11-12-5-6-16(20-10-12)23-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,21,22).
What are the key properties of 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78890683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).