N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide

C20H20FN7O — CID 146525524

IUPACN-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
SMILESNc1cnc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C20H20FN7O/c21-15-4-1-13(2-5-15)18-25-12-16(22)19(26-18)27-20(29)14-3-6-17(24-11-14)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10,22H2,(H,25,26,27,29)
InChIKeyRSFAENBIKFCFMN-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.92
Rot. Bonds4

About N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide

N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 146525524) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID146525524
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
SMILESNc1cnc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C20H20FN7O/c21-15-4-1-13(2-5-15)18-25-12-16(22)19(26-18)27-20(29)14-3-6-17(24-11-14)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10,22H2,(H,25,26,27,29)
InChIKeyRSFAENBIKFCFMN-UHFFFAOYSA-N
XLogP1.92
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide (CID 146525524) is N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide is Nc1cnc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is RSFAENBIKFCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c21-15-4-1-13(2-5-15)18-25-12-16(22)19(26-18)27-20(29)14-3-6-17(24-11-14)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10,22H2,(H,25,26,27,29).
What are the key properties of N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide?
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 146525524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).