N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide

C20H26N4O — CID 51327852

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-18(16-7-5-4-6-8-16)20(25)22-17-9-10-19(21-15-17)24-13-11-23(2)12-14-24/h4-10,15,18H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyHEFGKXZOGRDUIR-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.97
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide (PubChem CID 51327852) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
PubChem CID51327852
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-18(16-7-5-4-6-8-16)20(25)22-17-9-10-19(21-15-17)24-13-11-23(2)12-14-24/h4-10,15,18H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyHEFGKXZOGRDUIR-UHFFFAOYSA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide
CID 92987318
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 42849885
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 25396956
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
(2S)-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 92987363
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-[6-[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 46053929
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide (CID 51327852) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccccc1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide?
The InChIKey is HEFGKXZOGRDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-18(16-7-5-4-6-8-16)20(25)22-17-9-10-19(21-15-17)24-13-11-23(2)12-14-24/h4-10,15,18H,3,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide has a molecular weight of 338.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide is sourced from PubChem (CID 51327852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).