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

C24H26FN5O2 — CID 163276752

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cncc(F)c2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H26FN5O2/c1-16-23(17(2)28-15-27-16)21-12-20(29-24(31)18-11-19(25)14-26-13-18)5-6-22(21)32-10-9-30-7-3-4-8-30/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,29,31)
InChIKeyKNLPXASZVAKMLI-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.02
Rot. Bonds7

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

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 163276752) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID163276752
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cncc(F)c2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H26FN5O2/c1-16-23(17(2)28-15-27-16)21-12-20(29-24(31)18-11-19(25)14-26-13-18)5-6-22(21)32-10-9-30-7-3-4-8-30/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,29,31)
InChIKeyKNLPXASZVAKMLI-UHFFFAOYSA-N
XLogP4.02
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.02
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]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide (CID 163276752) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)c2cncc(F)c2)ccc1OCCN1CCCC1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is KNLPXASZVAKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-16-23(17(2)28-15-27-16)21-12-20(29-24(31)18-11-19(25)14-26-13-18)5-6-22(21)32-10-9-30-7-3-4-8-30/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,29,31).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.02, 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]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 163276752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).