N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

C19H26N6O2 — CID 125173578

IUPACN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1nccn1C
InChIInChI=1S/C19H26N6O2/c1-3-7-14(17-22-10-13-24(17)2)23-18(26)15-16(21-9-8-20-15)19(27)25-11-5-4-6-12-25/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyCEQUSJFWTGCMPS-AWEZNQCLSA-N
MW370.46 g/mol
LogP2.11
Rot. Bonds6

About N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 125173578) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID125173578
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1nccn1C
InChIInChI=1S/C19H26N6O2/c1-3-7-14(17-22-10-13-24(17)2)23-18(26)15-16(21-9-8-20-15)19(27)25-11-5-4-6-12-25/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyCEQUSJFWTGCMPS-AWEZNQCLSA-N
XLogP2.11
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126440228
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (CID 125173578) is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is CCC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1nccn1C.
What is the InChIKey of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is CEQUSJFWTGCMPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-7-14(17-22-10-13-24(17)2)23-18(26)15-16(21-9-8-20-15)19(27)25-11-5-4-6-12-25/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 125173578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).