N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide

C14H20N4O — CID 63883080

IUPACN-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N4O/c1-3-11(2)18-14(19)5-6-16-10-12-4-7-17-13(8-12)9-15/h4,7-8,11,16H,3,5-6,10H2,1-2H3,(H,18,19)
InChIKeyWIQAWCLGEIOLRG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.35
Rot. Bonds7

About N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide

N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide (PubChem CID 63883080) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
PubChem CID63883080
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N4O/c1-3-11(2)18-14(19)5-6-16-10-12-4-7-17-13(8-12)9-15/h4,7-8,11,16H,3,5-6,10H2,1-2H3,(H,18,19)
InChIKeyWIQAWCLGEIOLRG-UHFFFAOYSA-N
XLogP1.35
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[[4-(cyanomethoxy)phenyl]methylamino]propanamide
CID 60957207
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
CID 63889442
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
3-[(3-bromo-4-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 83236196
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
N-butan-2-yl-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanamide
CID 60956610
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 63002028
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
CID 61021841

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide (CID 63883080) is N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1ccnc(C#N)c1.
What is the InChIKey of N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide?
The InChIKey is WIQAWCLGEIOLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-11(2)18-14(19)5-6-16-10-12-4-7-17-13(8-12)9-15/h4,7-8,11,16H,3,5-6,10H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide?
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 63883080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).