N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide

C17H24N6O — CID 131913909

IUPACN,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1nccn1CC1CCCN(c2cncc(C(=O)N(C)C)n2)C1
InChIInChI=1S/C17H24N6O/c1-13-19-6-8-22(13)11-14-5-4-7-23(12-14)16-10-18-9-15(20-16)17(24)21(2)3/h6,8-10,14H,4-5,7,11-12H2,1-3H3
InChIKeyKXPFDAPQZBXRAA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.60
Rot. Bonds4

About N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide

N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 131913909) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID131913909
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1nccn1CC1CCCN(c2cncc(C(=O)N(C)C)n2)C1
InChIInChI=1S/C17H24N6O/c1-13-19-6-8-22(13)11-14-5-4-7-23(12-14)16-10-18-9-15(20-16)17(24)21(2)3/h6,8-10,14H,4-5,7,11-12H2,1-3H3
InChIKeyKXPFDAPQZBXRAA-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95829142
2-(2-methylimidazol-1-yl)-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133447374
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95502447
ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
CID 99636618
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97340628
3-methyl-4-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 70745727
(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 86283568
[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56909287

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 131913909) is N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide is Cc1nccn1CC1CCCN(c2cncc(C(=O)N(C)C)n2)C1.
What is the InChIKey of N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is KXPFDAPQZBXRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-19-6-8-22(13)11-14-5-4-7-23(12-14)16-10-18-9-15(20-16)17(24)21(2)3/h6,8-10,14H,4-5,7,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide?
N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 131913909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).