N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

C16H27N5O — CID 109275192

IUPACN-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCC1CCN(c2cnc(C(=O)NCCCN(C)C)cn2)CC1
InChIInChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15-12-18-14(11-19-15)16(22)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyDFCRNQZAIKXXPM-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.39
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 109275192) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID109275192
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCC1CCN(c2cnc(C(=O)NCCCN(C)C)cn2)CC1
InChIInChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15-12-18-14(11-19-15)16(22)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyDFCRNQZAIKXXPM-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109275191
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275219
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298960
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (CID 109275192) is N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is CC1CCN(c2cnc(C(=O)NCCCN(C)C)cn2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is DFCRNQZAIKXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15-12-18-14(11-19-15)16(22)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,22).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).