6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide

C19H19N5O2 — CID 155547517

IUPAC6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cn1
InChIInChI=1S/C19H19N5O2/c1-24(12-14-6-4-3-5-7-14)17-10-16(21-13-22-17)19(25)23-15-8-9-18(26-2)20-11-15/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyYTBUJVYRPUBSEO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.77
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 155547517) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID155547517
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cn1
InChIInChI=1S/C19H19N5O2/c1-24(12-14-6-4-3-5-7-14)17-10-16(21-13-22-17)19(25)23-15-8-9-18(26-2)20-11-15/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyYTBUJVYRPUBSEO-UHFFFAOYSA-N
XLogP2.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide (CID 155547517) is 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is YTBUJVYRPUBSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24(12-14-6-4-3-5-7-14)17-10-16(21-13-22-17)19(25)23-15-8-9-18(26-2)20-11-15/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155547517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).