N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide

C19H24ClN5O — CID 25218462

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C19H24ClN5O/c1-13(22-18-11-21-10-17(20)24-18)14-5-3-7-16(9-14)23-19(26)15-6-4-8-25(2)12-15/h3,5,7,9-11,13,15H,4,6,8,12H2,1-2H3,(H,22,24)(H,23,26)/t13-,15?/m0/s1
InChIKeyNZKUMDPOFJTNBC-CFMCSPIPSA-N
MW373.89 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 25218462) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide
PubChem CID25218462
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C19H24ClN5O/c1-13(22-18-11-21-10-17(20)24-18)14-5-3-7-16(9-14)23-19(26)15-6-4-8-25(2)12-15/h3,5,7,9-11,13,15H,4,6,8,12H2,1-2H3,(H,22,24)(H,23,26)/t13-,15?/m0/s1
InChIKeyNZKUMDPOFJTNBC-CFMCSPIPSA-N
XLogP3.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide (CID 25218462) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide is C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)C2CCCN(C)C2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is NZKUMDPOFJTNBC-CFMCSPIPSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-13(22-18-11-21-10-17(20)24-18)14-5-3-7-16(9-14)23-19(26)15-6-4-8-25(2)12-15/h3,5,7,9-11,13,15H,4,6,8,12H2,1-2H3,(H,22,24)(H,23,26)/t13-,15?/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 25218462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).