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

C16H21N5O — CID 175758691

IUPACN-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)C(=O)c1cc2cnc(C)nc2nc1N1CCCC1
InChIInChI=1S/C16H21N5O/c1-4-20(3)16(22)13-9-12-10-17-11(2)18-14(12)19-15(13)21-7-5-6-8-21/h9-10H,4-8H2,1-3H3
InChIKeyZZUMMYFWSGSRLL-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.03
Rot. Bonds3

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

N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758691) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758691
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)C(=O)c1cc2cnc(C)nc2nc1N1CCCC1
InChIInChI=1S/C16H21N5O/c1-4-20(3)16(22)13-9-12-10-17-11(2)18-14(12)19-15(13)21-7-5-6-8-21/h9-10H,4-8H2,1-3H3
InChIKeyZZUMMYFWSGSRLL-UHFFFAOYSA-N
XLogP2.03
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758691) is N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is CCN(C)C(=O)c1cc2cnc(C)nc2nc1N1CCCC1.
What is the InChIKey of N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZZUMMYFWSGSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-20(3)16(22)13-9-12-10-17-11(2)18-14(12)19-15(13)21-7-5-6-8-21/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).