N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide

C16H18ClN3O — CID 113009751

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-11(2)19-15-8-7-14(10-18-15)20-16(21)12-5-4-6-13(17)9-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHCMRCYLCQLMHTP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.20
Rot. Bonds5

About N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide (PubChem CID 113009751) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
PubChem CID113009751
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-11(2)19-15-8-7-14(10-18-15)20-16(21)12-5-4-6-13(17)9-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHCMRCYLCQLMHTP-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338354
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide (CID 113009751) is N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide is CCC(C)Nc1ccc(NC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide?
The InChIKey is HCMRCYLCQLMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-11(2)19-15-8-7-14(10-18-15)20-16(21)12-5-4-6-13(17)9-12/h4-11H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide is sourced from PubChem (CID 113009751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).