N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

C17H23N5O — CID 109248668

IUPACN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)N(C)CCc2ccncc2)cn1
InChIInChI=1S/C17H23N5O/c1-13(2)10-19-17-20-11-15(12-21-17)16(23)22(3)9-6-14-4-7-18-8-5-14/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,19,20,21)
InChIKeyNMKIGOWYRZMVMF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds7

About N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 109248668) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID109248668
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)N(C)CCc2ccncc2)cn1
InChIInChI=1S/C17H23N5O/c1-13(2)10-19-17-20-11-15(12-21-17)16(23)22(3)9-6-14-4-7-18-8-5-14/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,19,20,21)
InChIKeyNMKIGOWYRZMVMF-UHFFFAOYSA-N
XLogP2.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109260609
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (CID 109248668) is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is CC(C)CNc1ncc(C(=O)N(C)CCc2ccncc2)cn1.
What is the InChIKey of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is NMKIGOWYRZMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(2)10-19-17-20-11-15(12-21-17)16(23)22(3)9-6-14-4-7-18-8-5-14/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).