N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide

C12H18N4O2 — CID 141475453

IUPACN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCOC1CCN(CCNC(=O)c2cnccn2)C1
InChIInChI=1S/C12H18N4O2/c1-18-10-2-6-16(9-10)7-5-15-12(17)11-8-13-3-4-14-11/h3-4,8,10H,2,5-7,9H2,1H3,(H,15,17)
InChIKeySFTJQEBIVRWJQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.07
Rot. Bonds5

About N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 141475453) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID141475453
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCOC1CCN(CCNC(=O)c2cnccn2)C1
InChIInChI=1S/C12H18N4O2/c1-18-10-2-6-16(9-10)7-5-15-12(17)11-8-13-3-4-14-11/h3-4,8,10H,2,5-7,9H2,1H3,(H,15,17)
InChIKeySFTJQEBIVRWJQO-UHFFFAOYSA-N
XLogP-0.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide
CID 45165893
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-(2-piperidin-4-yloxyethyl)pyrazine-2-carboxamide
CID 55251519
N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 1233967
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide (CID 141475453) is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide is COC1CCN(CCNC(=O)c2cnccn2)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SFTJQEBIVRWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-10-2-6-16(9-10)7-5-15-12(17)11-8-13-3-4-14-11/h3-4,8,10H,2,5-7,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 141475453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).