(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide

C13H18N4O2 — CID 172675089

IUPAC(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1
InChIKeyMKGWZERGGHSXDY-JTQLQIEISA-N
MW262.31 g/mol
LogP-0.07
Rot. Bonds3

About (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide (PubChem CID 172675089) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide
PubChem CID172675089
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1
InChIKeyMKGWZERGGHSXDY-JTQLQIEISA-N
XLogP-0.07
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide (CID 172675089) is (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)Cc2ccnc(N)c2)C1.
What is the InChIKey of (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide?
The InChIKey is MKGWZERGGHSXDY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-amino-4-pyridinyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).