N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide

C26H30FN5O2 — CID 130201686

IUPACN-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C#N)cc(CN3CCN(C(=O)CC4CC4)C(C)C3)c2C)cc1F
InChIInChI=1S/C26H30FN5O2/c1-16-14-31(6-7-32(16)25(33)10-19-4-5-19)15-22-8-20(12-28)9-24(17(22)2)30-26(34)21-11-23(27)18(3)29-13-21/h8-9,11,13,16,19H,4-7,10,14-15H2,1-3H3,(H,30,34)
InChIKeyQXPUCNBFKYBNCI-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.79
Rot. Bonds6

About N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide

N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide (PubChem CID 130201686) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
PubChem CID130201686
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC NameN-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C#N)cc(CN3CCN(C(=O)CC4CC4)C(C)C3)c2C)cc1F
InChIInChI=1S/C26H30FN5O2/c1-16-14-31(6-7-32(16)25(33)10-19-4-5-19)15-22-8-20(12-28)9-24(17(22)2)30-26(34)21-11-23(27)18(3)29-13-21/h8-9,11,13,16,19H,4-7,10,14-15H2,1-3H3,(H,30,34)
InChIKeyQXPUCNBFKYBNCI-UHFFFAOYSA-N
XLogP3.79
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide (CID 130201686) is N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C#N)cc(CN3CCN(C(=O)CC4CC4)C(C)C3)c2C)cc1F.
What is the InChIKey of N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The InChIKey is QXPUCNBFKYBNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-16-14-31(6-7-32(16)25(33)10-19-4-5-19)15-22-8-20(12-28)9-24(17(22)2)30-26(34)21-11-23(27)18(3)29-13-21/h8-9,11,13,16,19H,4-7,10,14-15H2,1-3H3,(H,30,34).
What are the key properties of N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 130201686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).