N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide

C12H12N4O — CID 30479888

IUPACN-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1cnccn1)c1ccncc1
InChIInChI=1S/C12H12N4O/c1-9(10-2-4-13-5-3-10)16-12(17)11-8-14-6-7-15-11/h2-9H,1H3,(H,16,17)/t9-/m0/s1
InChIKeyNIDMGFXRLPCGHB-VIFPVBQESA-N
MW228.25 g/mol
LogP1.36
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide

N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide (PubChem CID 30479888) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
PubChem CID30479888
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1cnccn1)c1ccncc1
InChIInChI=1S/C12H12N4O/c1-9(10-2-4-13-5-3-10)16-12(17)11-8-14-6-7-15-11/h2-9H,1H3,(H,16,17)/t9-/m0/s1
InChIKeyNIDMGFXRLPCGHB-VIFPVBQESA-N
XLogP1.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 40881028
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 162260184
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
CID 146575761
5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62958085

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide (CID 30479888) is N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide is C[C@H](NC(=O)c1cnccn1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide?
The InChIKey is NIDMGFXRLPCGHB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N4O/c1-9(10-2-4-13-5-3-10)16-12(17)11-8-14-6-7-15-11/h2-9H,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide?
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30479888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).