4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid

C21H22N4O2 — CID 68729145

IUPAC4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESNc1c(-c2ccc3ccccc3c2)ccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C21H22N4O2/c22-19-18(16-6-5-14-3-1-2-4-15(14)13-16)7-10-23-20(19)24-17-8-11-25(12-9-17)21(26)27/h1-7,10,13,17H,8-9,11-12,22H2,(H,23,24)(H,26,27)
InChIKeyKHBBASYKQDLFRY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.04
Rot. Bonds3

About 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid

4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid (PubChem CID 68729145) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
PubChem CID68729145
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESNc1c(-c2ccc3ccccc3c2)ccnc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C21H22N4O2/c22-19-18(16-6-5-14-3-1-2-4-15(14)13-16)7-10-23-20(19)24-17-8-11-25(12-9-17)21(26)27/h1-7,10,13,17H,8-9,11-12,22H2,(H,23,24)(H,26,27)
InChIKeyKHBBASYKQDLFRY-UHFFFAOYSA-N
XLogP4.04
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid (CID 68729145) is 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid is Nc1c(-c2ccc3ccccc3c2)ccnc1NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The InChIKey is KHBBASYKQDLFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-19-18(16-6-5-14-3-1-2-4-15(14)13-16)7-10-23-20(19)24-17-8-11-25(12-9-17)21(26)27/h1-7,10,13,17H,8-9,11-12,22H2,(H,23,24)(H,26,27).
What are the key properties of 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid?
4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68729145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).