N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide

C17H21N5O — CID 46967272

IUPACN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
SMILESCN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C2CC2)n1
InChIInChI=1S/C17H21N5O/c1-22(2)17-20-11-14(12-5-8-18-9-6-12)15(21-17)7-10-19-16(23)13-3-4-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,23)
InChIKeyXEMQIGZRVUKZFI-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.67
Rot. Bonds6

About N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 46967272) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID46967272
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
SMILESCN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C2CC2)n1
InChIInChI=1S/C17H21N5O/c1-22(2)17-20-11-14(12-5-8-18-9-6-12)15(21-17)7-10-19-16(23)13-3-4-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,23)
InChIKeyXEMQIGZRVUKZFI-UHFFFAOYSA-N
XLogP1.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide (CID 46967272) is N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide is CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is XEMQIGZRVUKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-22(2)17-20-11-14(12-5-8-18-9-6-12)15(21-17)7-10-19-16(23)13-3-4-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46967272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).