N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide

C17H18ClN3O — CID 113012244

IUPACN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)nc1)C1CCC1
InChIInChI=1S/C17H18ClN3O/c18-15-7-2-1-4-13(15)10-19-16-9-8-14(11-20-16)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12H,3,5-6,10H2,(H,19,20)(H,21,22)
InChIKeyLDGXJBDYMBFAID-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.09
Rot. Bonds5

About N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide

N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113012244) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113012244
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)nc1)C1CCC1
InChIInChI=1S/C17H18ClN3O/c18-15-7-2-1-4-13(15)10-19-16-9-8-14(11-20-16)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12H,3,5-6,10H2,(H,19,20)(H,21,22)
InChIKeyLDGXJBDYMBFAID-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide (CID 113012244) is N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(NCc2ccccc2Cl)nc1)C1CCC1.
What is the InChIKey of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is LDGXJBDYMBFAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-15-7-2-1-4-13(15)10-19-16-9-8-14(11-20-16)21-17(22)12-5-3-6-12/h1-2,4,7-9,11-12H,3,5-6,10H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide?
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113012244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).