N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide

C16H18ClN3O — CID 113033607

IUPACN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-4-16(21)20-15-8-7-13(10-18-15)19-12-6-5-11(2)14(17)9-12/h5-10,19H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyKFAUMUABTDEVTP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.53
Rot. Bonds5

About N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide (PubChem CID 113033607) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
PubChem CID113033607
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-4-16(21)20-15-8-7-13(10-18-15)19-12-6-5-11(2)14(17)9-12/h5-10,19H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyKFAUMUABTDEVTP-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
N-[5-(3-bromoanilino)-2-pyridinyl]butanamide
CID 113036004
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide (CID 113033607) is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide?
The InChIKey is KFAUMUABTDEVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-4-16(21)20-15-8-7-13(10-18-15)19-12-6-5-11(2)14(17)9-12/h5-10,19H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide?
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113033607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).