N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide

C23H26FN5O — CID 110261221

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(C2CCCN2Cc2cnn(C)c2)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c1-16-20(23(30)25-12-17-5-7-19(24)8-6-17)9-10-21(27-16)22-4-3-11-29(22)15-18-13-26-28(2)14-18/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,25,30)
InChIKeyFSNFOSMWJODXKK-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.53
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide (PubChem CID 110261221) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
PubChem CID110261221
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(C2CCCN2Cc2cnn(C)c2)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c1-16-20(23(30)25-12-17-5-7-19(24)8-6-17)9-10-21(27-16)22-4-3-11-29(22)15-18-13-26-28(2)14-18/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,25,30)
InChIKeyFSNFOSMWJODXKK-UHFFFAOYSA-N
XLogP3.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide (CID 110261221) is N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide is Cc1nc(C2CCCN2Cc2cnn(C)c2)ccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?
The InChIKey is FSNFOSMWJODXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-16-20(23(30)25-12-17-5-7-19(24)8-6-17)9-10-21(27-16)22-4-3-11-29(22)15-18-13-26-28(2)14-18/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,25,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110261221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).