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

C17H23N5O — CID 175758729

IUPACN,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)C(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C17H23N5O/c1-11(2)21(4)17(23)14-9-13-10-18-12(3)19-15(13)20-16(14)22-7-5-6-8-22/h9-11H,5-8H2,1-4H3
InChIKeyVHXWYUYMAMHZKC-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.41
Rot. Bonds3

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

N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758729) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758729
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)C(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C17H23N5O/c1-11(2)21(4)17(23)14-9-13-10-18-12(3)19-15(13)20-16(14)22-7-5-6-8-22/h9-11H,5-8H2,1-4H3
InChIKeyVHXWYUYMAMHZKC-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758729) is N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2cc(C(=O)N(C)C(C)C)c(N3CCCC3)nc2n1.
What is the InChIKey of N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VHXWYUYMAMHZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)21(4)17(23)14-9-13-10-18-12(3)19-15(13)20-16(14)22-7-5-6-8-22/h9-11H,5-8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propan-2-yl-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).