N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

C15H19N5O3S — CID 175758796

IUPACN,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)S(C)(=O)=O)c(N3CCCC3)nc2n1
InChIInChI=1S/C15H19N5O3S/c1-10-16-9-11-8-12(15(21)19(2)24(3,22)23)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3
InChIKeyBQZKRBKZJZKISA-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.97
Rot. Bonds3

About N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide

N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758796) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758796
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)S(C)(=O)=O)c(N3CCCC3)nc2n1
InChIInChI=1S/C15H19N5O3S/c1-10-16-9-11-8-12(15(21)19(2)24(3,22)23)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3
InChIKeyBQZKRBKZJZKISA-UHFFFAOYSA-N
XLogP0.97
TPSA96.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758796) is N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2cc(C(=O)N(C)S(C)(=O)=O)c(N3CCCC3)nc2n1.
What is the InChIKey of N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BQZKRBKZJZKISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10-16-9-11-8-12(15(21)19(2)24(3,22)23)14(18-13(11)17-10)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3.
What are the key properties of N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-methylsulfonyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).