N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H29N5O — CID 42954768

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1)C(C)C
InChIInChI=1S/C21H29N5O/c1-4-26(16(2)3)19-9-7-18(8-10-19)24-21(27)17-6-5-13-25(15-17)20-14-22-11-12-23-20/h7-12,14,16-17H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyOCIFIHXCIKOWBN-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.57
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42954768) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42954768
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1)C(C)C
InChIInChI=1S/C21H29N5O/c1-4-26(16(2)3)19-9-7-18(8-10-19)24-21(27)17-6-5-13-25(15-17)20-14-22-11-12-23-20/h7-12,14,16-17H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyOCIFIHXCIKOWBN-UHFFFAOYSA-N
XLogP3.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42954768) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CCN(c1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is OCIFIHXCIKOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-26(16(2)3)19-9-7-18(8-10-19)24-21(27)17-6-5-13-25(15-17)20-14-22-11-12-23-20/h7-12,14,16-17H,4-6,13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42954768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).