N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane

C34H49FN8O — CID 143195439

IUPACN-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)N(C)CCCN(C)C)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1
InChIInChI=1S/C32H43FN8O.C2H6/c1-23-20-26(31(42)38(5)14-7-13-37(3)4)22-34-30(23)40-18-16-39(17-19-40)29-21-28(25-9-11-27(33)12-10-25)35-32(36-29)41-15-6-8-24(41)2;1-2/h9-12,20-22,24H,6-8,13-19H2,1-5H3;1-2H3
InChIKeyKLJFRAKXMRBCEO-UHFFFAOYSA-N
MW604.82 g/mol
LogP5.35
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane

N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane (PubChem CID 143195439) has the molecular formula C34H49FN8O and a molecular weight of 604.82 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane
PubChem CID143195439
Molecular FormulaC34H49FN8O
Molecular Weight604.82 g/mol
Exact Mass604.40
IUPAC NameN-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)N(C)CCCN(C)C)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1
InChIInChI=1S/C32H43FN8O.C2H6/c1-23-20-26(31(42)38(5)14-7-13-37(3)4)22-34-30(23)40-18-16-39(17-19-40)29-21-28(25-9-11-27(33)12-10-25)35-32(36-29)41-15-6-8-24(41)2;1-2/h9-12,20-22,24H,6-8,13-19H2,1-5H3;1-2H3
InChIKeyKLJFRAKXMRBCEO-UHFFFAOYSA-N
XLogP5.35
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane (CID 143195439) is N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane is CC.Cc1cc(C(=O)N(C)CCCN(C)C)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane?
The InChIKey is KLJFRAKXMRBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43FN8O.C2H6/c1-23-20-26(31(42)38(5)14-7-13-37(3)4)22-34-30(23)40-18-16-39(17-19-40)29-21-28(25-9-11-27(33)12-10-25)35-32(36-29)41-15-6-8-24(41)2;1-2/h9-12,20-22,24H,6-8,13-19H2,1-5H3;1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane?
N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane has a molecular weight of 604.82 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N,5-dimethylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 143195439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).