3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid

C24H32N4O3 — CID 10387647

IUPAC3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid
SMILESO=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C24H32N4O3/c29-23(7-4-14-27-22-6-1-2-13-26-22)28-15-10-19(11-16-28)8-9-20(17-24(30)31)21-5-3-12-25-18-21/h1-3,5-6,12-13,18-20H,4,7-11,14-17H2,(H,26,27)(H,30,31)
InChIKeyDNQWHMAMMCDOER-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.95
Rot. Bonds11

About 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid

3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid (PubChem CID 10387647) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid
PubChem CID10387647
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid
SMILESO=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C24H32N4O3/c29-23(7-4-14-27-22-6-1-2-13-26-22)28-15-10-19(11-16-28)8-9-20(17-24(30)31)21-5-3-12-25-18-21/h1-3,5-6,12-13,18-20H,4,7-11,14-17H2,(H,26,27)(H,30,31)
InChIKeyDNQWHMAMMCDOER-UHFFFAOYSA-N
XLogP3.95
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromobutanoyl chloride;methane;methyl 5-[1-(4-bromobutanoyl)piperidin-4-yl]-3-pyridin-3-ylpentanoate;methyl 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoate;pyridin-2-amine;3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid
CID 157339812
3-pyridin-3-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid
CID 11476937
3-pyridin-3-yl-3-[[4-[2-(pyridin-2-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]propanoic acid
CID 10127029
3-pyridin-3-yl-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 10026044
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94036422
3-[[3-oxo-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-ylpropanoic acid
CID 10195326
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
3-quinolin-3-yl-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid
CID 10481110
benzyl 4-[3-oxo-3-[(3R)-3-[1-[[(1R)-3-oxo-1-pyridin-3-ylbutyl]amino]ethenyl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 59038485
(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate
CID 69370141
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid?
The IUPAC name of 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid (CID 10387647) is 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid.
What is the SMILES notation for 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid?
The canonical SMILES for 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid is O=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid?
The InChIKey is DNQWHMAMMCDOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-23(7-4-14-27-22-6-1-2-13-26-22)28-15-10-19(11-16-28)8-9-20(17-24(30)31)21-5-3-12-25-18-21/h1-3,5-6,12-13,18-20H,4,7-11,14-17H2,(H,26,27)(H,30,31).
What are the key properties of 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid?
3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid has a molecular weight of 424.55 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid is sourced from PubChem (CID 10387647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).