N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide

C24H23ClFN5O3 — CID 59833334

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C24H23ClFN5O3/c25-17-4-7-21(27-12-17)30-24(34)19-10-18(26)5-6-20(19)29-23(33)16-3-8-22(28-11-16)31-9-1-2-15(13-31)14-32/h3-8,10-12,15,32H,1-2,9,13-14H2,(H,29,33)(H,27,30,34)
InChIKeyJLNRLJPTIBCFOY-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 59833334) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID59833334
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C24H23ClFN5O3/c25-17-4-7-21(27-12-17)30-24(34)19-10-18(26)5-6-20(19)29-23(33)16-3-8-22(28-11-16)31-9-1-2-15(13-31)14-32/h3-8,10-12,15,32H,1-2,9,13-14H2,(H,29,33)(H,27,30,34)
InChIKeyJLNRLJPTIBCFOY-UHFFFAOYSA-N
XLogP3.98
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 59833334) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCC(CO)C2)nc1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JLNRLJPTIBCFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c25-17-4-7-21(27-12-17)30-24(34)19-10-18(26)5-6-20(19)29-23(33)16-3-8-22(28-11-16)31-9-1-2-15(13-31)14-32/h3-8,10-12,15,32H,1-2,9,13-14H2,(H,29,33)(H,27,30,34).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.93 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59833334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).