N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C34H35FN6O3 — CID 66710817

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C34H35FN6O3/c35-28-7-2-24(3-8-28)23-39-18-14-29(15-19-39)38-33(43)27-6-11-31(36-22-27)34(44)40-20-12-26(13-21-40)32(42)25-4-9-30(10-5-25)41-17-1-16-37-41/h1-11,16-17,22,26,29H,12-15,18-21,23H2,(H,38,43)
InChIKeyBUMYTKZYNNGHLL-UHFFFAOYSA-N
MW594.69 g/mol
LogP4.54
Rot. Bonds8

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710817) has the molecular formula C34H35FN6O3 and a molecular weight of 594.69 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710817
Molecular FormulaC34H35FN6O3
Molecular Weight594.69 g/mol
Exact Mass594.28
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C34H35FN6O3/c35-28-7-2-24(3-8-28)23-39-18-14-29(15-19-39)38-33(43)27-6-11-31(36-22-27)34(44)40-20-12-26(13-21-40)32(42)25-4-9-30(10-5-25)41-17-1-16-37-41/h1-11,16-17,22,26,29H,12-15,18-21,23H2,(H,38,43)
InChIKeyBUMYTKZYNNGHLL-UHFFFAOYSA-N
XLogP4.54
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.69
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710817) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is BUMYTKZYNNGHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6O3/c35-28-7-2-24(3-8-28)23-39-18-14-29(15-19-39)38-33(43)27-6-11-31(36-22-27)34(44)40-20-12-26(13-21-40)32(42)25-4-9-30(10-5-25)41-17-1-16-37-41/h1-11,16-17,22,26,29H,12-15,18-21,23H2,(H,38,43).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 594.69 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).