2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C15H19N5O — CID 175758734

IUPAC2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cc2cnc(C)nc2nc1N1CCCC1)C([2H])([2H])[2H]
InChIInChI=1S/C15H19N5O/c1-10-16-9-11-8-12(15(21)19(2)3)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3/i2D3,3D3
InChIKeyYYDHBZOTJGFZDW-XERRXZQWSA-N
MW291.39 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758734) has the molecular formula C15H19N5O and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758734
Molecular FormulaC15H19N5O
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cc2cnc(C)nc2nc1N1CCCC1)C([2H])([2H])[2H]
InChIInChI=1S/C15H19N5O/c1-10-16-9-11-8-12(15(21)19(2)3)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3/i2D3,3D3
InChIKeyYYDHBZOTJGFZDW-XERRXZQWSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758734) is 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is [2H]C([2H])([2H])N(C(=O)c1cc2cnc(C)nc2nc1N1CCCC1)C([2H])([2H])[2H].
What is the InChIKey of 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YYDHBZOTJGFZDW-XERRXZQWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-16-9-11-8-12(15(21)19(2)3)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3/i2D3,3D3.
What are the key properties of 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-pyrrolidin-1-yl-N,N-bis(trideuteriomethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).