N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

C20H25N5O — CID 46955605

IUPACN,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1
InChIInChI=1S/C20H25N5O/c1-14-11-16(14)19(26)24(2)13-18-17(15-5-7-21-8-6-15)12-22-20(23-18)25-9-3-4-10-25/h5-8,12,14,16H,3-4,9-11,13H2,1-2H3
InChIKeyFANSXXKKAKCFQU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.75
Rot. Bonds5

About N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 46955605) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID46955605
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1
InChIInChI=1S/C20H25N5O/c1-14-11-16(14)19(26)24(2)13-18-17(15-5-7-21-8-6-15)12-22-20(23-18)25-9-3-4-10-25/h5-8,12,14,16H,3-4,9-11,13H2,1-2H3
InChIKeyFANSXXKKAKCFQU-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.75
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-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 46955605) is N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is CC1CC1C(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1.
What is the InChIKey of N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is FANSXXKKAKCFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-11-16(14)19(26)24(2)13-18-17(15-5-7-21-8-6-15)12-22-20(23-18)25-9-3-4-10-25/h5-8,12,14,16H,3-4,9-11,13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46955605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).