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

C17H20ClN3O — CID 113012194

IUPACN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C17H20ClN3O/c1-12(2)9-17(22)21-14-7-8-16(20-11-14)19-10-13-5-3-4-6-15(13)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLWPLJVZVBNBJQJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.33
Rot. Bonds6

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

N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide (PubChem CID 113012194) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
PubChem CID113012194
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C17H20ClN3O/c1-12(2)9-17(22)21-14-7-8-16(20-11-14)19-10-13-5-3-4-6-15(13)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLWPLJVZVBNBJQJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
CID 113015117

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide (CID 113012194) is N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NCc2ccccc2Cl)nc1.
What is the InChIKey of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is LWPLJVZVBNBJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)9-17(22)21-14-7-8-16(20-11-14)19-10-13-5-3-4-6-15(13)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide?
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 317.82 g/mol, XLogP of 4.33, 6 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]-3-methylbutanamide is sourced from PubChem (CID 113012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).