3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid

C18H21N5O3 — CID 54438613

IUPAC3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C18H21N5O3/c24-17(25)6-9-20-18(26)15-2-1-3-16(21-15)23-12-10-22(11-13-23)14-4-7-19-8-5-14/h1-5,7-8H,6,9-13H2,(H,20,26)(H,24,25)
InChIKeyWMMPVECYPWWCOS-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.01
Rot. Bonds6

About 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid

3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 54438613) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID54438613
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C18H21N5O3/c24-17(25)6-9-20-18(26)15-2-1-3-16(21-15)23-12-10-22(11-13-23)14-4-7-19-8-5-14/h1-5,7-8H,6,9-13H2,(H,20,26)(H,24,25)
InChIKeyWMMPVECYPWWCOS-UHFFFAOYSA-N
XLogP1.01
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 57289759
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84574058
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
6-morpholin-4-ylpyridine-2-carbohydrazide
CID 67450200
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84575175
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid (CID 54438613) is 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is WMMPVECYPWWCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-17(25)6-9-20-18(26)15-2-1-3-16(21-15)23-12-10-22(11-13-23)14-4-7-19-8-5-14/h1-5,7-8H,6,9-13H2,(H,20,26)(H,24,25).
What are the key properties of 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid?
3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 355.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 54438613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).