N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H25N5O — CID 84598434

IUPACN-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C17H25N5O/c23-17(20-15-9-18-16(19-10-15)14-3-4-14)22-8-5-13(12-22)11-21-6-1-2-7-21/h9-10,13-14H,1-8,11-12H2,(H,20,23)
InChIKeyCKUWLLJEVZFIHD-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.30
Rot. Bonds4

About N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 84598434) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID84598434
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C17H25N5O/c23-17(20-15-9-18-16(19-10-15)14-3-4-14)22-8-5-13(12-22)11-21-6-1-2-7-21/h9-10,13-14H,1-8,11-12H2,(H,20,23)
InChIKeyCKUWLLJEVZFIHD-UHFFFAOYSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 84598434) is N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1cnc(C2CC2)nc1)N1CCC(CN2CCCC2)C1.
What is the InChIKey of N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CKUWLLJEVZFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-17(20-15-9-18-16(19-10-15)14-3-4-14)22-8-5-13(12-22)11-21-6-1-2-7-21/h9-10,13-14H,1-8,11-12H2,(H,20,23).
What are the key properties of N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrimidin-5-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84598434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).