N-(4-chloro-2-pyridinyl)-3-methylpentanamide

C11H15ClN2O — CID 114877777

IUPACN-(4-chloro-2-pyridinyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O/c1-3-8(2)6-11(15)14-10-7-9(12)4-5-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyILTHRRCONFTEIQ-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.11
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-3-methylpentanamide

N-(4-chloro-2-pyridinyl)-3-methylpentanamide (PubChem CID 114877777) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-methylpentanamide
PubChem CID114877777
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(4-chloro-2-pyridinyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O/c1-3-8(2)6-11(15)14-10-7-9(12)4-5-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyILTHRRCONFTEIQ-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
(E)-3-[2-(3-methylpentanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822102
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
CID 123816507
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 75393221
N-(4-iodo-2-pyridinyl)-3-methylbutanamide
CID 170352197
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylpentanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylpentanamide (CID 114877777) is N-(4-chloro-2-pyridinyl)-3-methylpentanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-methylpentanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-methylpentanamide?
The InChIKey is ILTHRRCONFTEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-8(2)6-11(15)14-10-7-9(12)4-5-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-methylpentanamide?
N-(4-chloro-2-pyridinyl)-3-methylpentanamide has a molecular weight of 226.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-methylpentanamide is sourced from PubChem (CID 114877777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).