N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide

C24H29N5O2 — CID 163276830

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OCCN1CCCC1
InChIInChI=1S/C24H29N5O2/c1-17-23(18(2)26-16-25-17)20-15-19(27-24(30)21-7-6-10-28(21)3)8-9-22(20)31-14-13-29-11-4-5-12-29/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,27,30)
InChIKeyBRWFTHNLAYGLEK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.83
Rot. Bonds7

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 163276830) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID163276830
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OCCN1CCCC1
InChIInChI=1S/C24H29N5O2/c1-17-23(18(2)26-16-25-17)20-15-19(27-24(30)21-7-6-10-28(21)3)8-9-22(20)31-14-13-29-11-4-5-12-29/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,27,30)
InChIKeyBRWFTHNLAYGLEK-UHFFFAOYSA-N
XLogP3.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide (CID 163276830) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OCCN1CCCC1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BRWFTHNLAYGLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-23(18(2)26-16-25-17)20-15-19(27-24(30)21-7-6-10-28(21)3)8-9-22(20)31-14-13-29-11-4-5-12-29/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 163276830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).