N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

C34H32FN5O4 — CID 66710458

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C34H32FN5O4/c35-26-6-11-29(12-7-26)44-31-14-8-27(22-37-31)38-33(42)30-13-5-25(21-36-30)34(43)40-19-15-24(16-20-40)32(41)23-3-9-28(10-4-23)39-17-1-2-18-39/h3-14,21-22,24H,1-2,15-20H2,(H,38,42)
InChIKeySTPZXMKMNKFXAI-UHFFFAOYSA-N
MW593.66 g/mol
LogP6.00
Rot. Bonds8

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710458) has the molecular formula C34H32FN5O4 and a molecular weight of 593.66 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710458
Molecular FormulaC34H32FN5O4
Molecular Weight593.66 g/mol
Exact Mass593.24
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C34H32FN5O4/c35-26-6-11-29(12-7-26)44-31-14-8-27(22-37-31)38-33(42)30-13-5-25(21-36-30)34(43)40-19-15-24(16-20-40)32(41)23-3-9-28(10-4-23)39-17-1-2-18-39/h3-14,21-22,24H,1-2,15-20H2,(H,38,42)
InChIKeySTPZXMKMNKFXAI-UHFFFAOYSA-N
XLogP6.00
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.66
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710458) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)cn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is STPZXMKMNKFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O4/c35-26-6-11-29(12-7-26)44-31-14-8-27(22-37-31)38-33(42)30-13-5-25(21-36-30)34(43)40-19-15-24(16-20-40)32(41)23-3-9-28(10-4-23)39-17-1-2-18-39/h3-14,21-22,24H,1-2,15-20H2,(H,38,42).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 593.66 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).