3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide

C14H23N5O — CID 47140611

IUPAC3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1nccnc1N
InChIInChI=1S/C14H23N5O/c1-11-5-2-3-9-19(11)10-4-6-18-14(20)12-13(15)17-8-7-16-12/h7-8,11H,2-6,9-10H2,1H3,(H2,15,17)(H,18,20)
InChIKeyNQNHYYRWCSNRIN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.05
Rot. Bonds5

About 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide

3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 47140611) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID47140611
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1nccnc1N
InChIInChI=1S/C14H23N5O/c1-11-5-2-3-9-19(11)10-4-6-18-14(20)12-13(15)17-8-7-16-12/h7-8,11H,2-6,9-10H2,1H3,(H2,15,17)(H,18,20)
InChIKeyNQNHYYRWCSNRIN-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.05
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

3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide (CID 47140611) is 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide is CC1CCCCN1CCCNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is NQNHYYRWCSNRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-5-2-3-9-19(11)10-4-6-18-14(20)12-13(15)17-8-7-16-12/h7-8,11H,2-6,9-10H2,1H3,(H2,15,17)(H,18,20).
What are the key properties of 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47140611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).