N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C15H25N5O — CID 109298960

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)NCCN(C)C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-12-5-9-20(10-6-12)15-17-7-4-13(18-15)14(21)16-8-11-19(2)3/h4,7,12H,5-6,8-11H2,1-3H3,(H,16,21)
InChIKeySZJTYQATDIHDQV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.00
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109298960) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109298960
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)NCCN(C)C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-12-5-9-20(10-6-12)15-17-7-4-13(18-15)14(21)16-8-11-19(2)3/h4,7,12H,5-6,8-11H2,1-3H3,(H,16,21)
InChIKeySZJTYQATDIHDQV-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301230
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301231
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301855
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
N-[2-(dimethylamino)ethyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095413
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299118
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109298960) is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCN(c2nccc(C(=O)NCCN(C)C)n2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is SZJTYQATDIHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-5-9-20(10-6-12)15-17-7-4-13(18-15)14(21)16-8-11-19(2)3/h4,7,12H,5-6,8-11H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).