N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide

C15H23N5O2 — CID 97265478

IUPACN-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1cnccn1
InChIInChI=1S/C15H23N5O2/c1-2-20-9-3-4-12(20)10-19-14(21)5-6-18-15(22)13-11-16-7-8-17-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyYWOUZXJYGSERJM-GFCCVEGCSA-N
MW305.38 g/mol
LogP0.20
Rot. Bonds7

About N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide

N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 97265478) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID97265478
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1cnccn1
InChIInChI=1S/C15H23N5O2/c1-2-20-9-3-4-12(20)10-19-14(21)5-6-18-15(22)13-11-16-7-8-17-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyYWOUZXJYGSERJM-GFCCVEGCSA-N
XLogP0.20
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 95376646
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111262245
N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
CID 47074281
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71705371
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide (CID 97265478) is N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide is CCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is YWOUZXJYGSERJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-20-9-3-4-12(20)10-19-14(21)5-6-18-15(22)13-11-16-7-8-17-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97265478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).