4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide

C16H19N3O — CID 63324069

IUPAC4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccnc(NC(=O)CCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-9-10-18-15(11-12)19-16(20)8-7-14(17)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,17H2,1H3,(H,18,19,20)
InChIKeyCTJIFKGTTOCBIP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds5

About 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide

4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide (PubChem CID 63324069) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
PubChem CID63324069
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccnc(NC(=O)CCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-9-10-18-15(11-12)19-16(20)8-7-14(17)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,17H2,1H3,(H,18,19,20)
InChIKeyCTJIFKGTTOCBIP-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 63563168
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 56526707
4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide
CID 107588622
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide (CID 63324069) is 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide is Cc1ccnc(NC(=O)CCC(N)c2ccccc2)c1.
What is the InChIKey of 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide?
The InChIKey is CTJIFKGTTOCBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-9-10-18-15(11-12)19-16(20)8-7-14(17)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,17H2,1H3,(H,18,19,20).
What are the key properties of 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide?
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide has a molecular weight of 269.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 63324069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).