(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid

C17H26N4O3 — CID 120614998

IUPAC(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-4-5-14(17(23)24)19-16(22)13-6-7-18-15(12-13)21-10-8-20(2)9-11-21/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,22)(H,23,24)/t14-/m0/s1
InChIKeyYMALMSSZVPQUEC-AWEZNQCLSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds7

About (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid

(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid (PubChem CID 120614998) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
PubChem CID120614998
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-4-5-14(17(23)24)19-16(22)13-6-7-18-15(12-13)21-10-8-20(2)9-11-21/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,22)(H,23,24)/t14-/m0/s1
InChIKeyYMALMSSZVPQUEC-AWEZNQCLSA-N
XLogP1.21
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
CID 120614797
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
CID 97212732
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119047944
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid (CID 120614998) is (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid?
The InChIKey is YMALMSSZVPQUEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-4-5-14(17(23)24)19-16(22)13-6-7-18-15(12-13)21-10-8-20(2)9-11-21/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,22)(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid?
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 120614998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).