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

C17H21N5O — CID 175758720

IUPAC2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(C3CC3)nc2nc1N1CCCC1
InChIInChI=1S/C17H21N5O/c1-21(2)17(23)13-9-12-10-18-14(11-5-6-11)19-15(12)20-16(13)22-7-3-4-8-22/h9-11H,3-8H2,1-2H3
InChIKeyNAYRNKFJYOKXDV-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.20
Rot. Bonds3

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

2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758720) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758720
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(C3CC3)nc2nc1N1CCCC1
InChIInChI=1S/C17H21N5O/c1-21(2)17(23)13-9-12-10-18-14(11-5-6-11)19-15(12)20-16(13)22-7-3-4-8-22/h9-11H,3-8H2,1-2H3
InChIKeyNAYRNKFJYOKXDV-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758720) is 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(C3CC3)nc2nc1N1CCCC1.
What is the InChIKey of 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NAYRNKFJYOKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)17(23)13-9-12-10-18-14(11-5-6-11)19-15(12)20-16(13)22-7-3-4-8-22/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N-dimethyl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).