N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C25H29N5O2 — CID 110225630

IUPACN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cccc(C(Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C25H29N5O2/c1-16-6-5-7-18(12-16)21(27-25(32)19-10-11-23(31)30(4)15-19)13-20-14-22(29(2)3)28-24(26-20)17-8-9-17/h5-7,10-12,14-15,17,21H,8-9,13H2,1-4H3,(H,27,32)
InChIKeyMAOSKEYJXYIHAB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.14
Rot. Bonds7

About N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 110225630) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID110225630
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cccc(C(Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C25H29N5O2/c1-16-6-5-7-18(12-16)21(27-25(32)19-10-11-23(31)30(4)15-19)13-20-14-22(29(2)3)28-24(26-20)17-8-9-17/h5-7,10-12,14-15,17,21H,8-9,13H2,1-4H3,(H,27,32)
InChIKeyMAOSKEYJXYIHAB-UHFFFAOYSA-N
XLogP3.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 110225630) is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is Cc1cccc(C(Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2ccc(=O)n(C)c2)c1.
What is the InChIKey of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is MAOSKEYJXYIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16-6-5-7-18(12-16)21(27-25(32)19-10-11-23(31)30(4)15-19)13-20-14-22(29(2)3)28-24(26-20)17-8-9-17/h5-7,10-12,14-15,17,21H,8-9,13H2,1-4H3,(H,27,32).
What are the key properties of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110225630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).