N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide

C25H29ClN4O4 — CID 70889857

IUPACN-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
SMILESCC(O)C(=O)c1c(Cl)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c1-16(31)22(32)21-19(26)5-2-6-20(21)30-12-7-17(8-13-30)14-28-24(34)25(9-10-25)29-23(33)18-4-3-11-27-15-18/h2-6,11,15-17,31H,7-10,12-14H2,1H3,(H,28,34)(H,29,33)
InChIKeyXYOZXMUAOJLZHL-UHFFFAOYSA-N
MW484.98 g/mol
LogP2.59
Rot. Bonds8

About N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide

N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide (PubChem CID 70889857) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
PubChem CID70889857
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC NameN-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
SMILESCC(O)C(=O)c1c(Cl)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C25H29ClN4O4/c1-16(31)22(32)21-19(26)5-2-6-20(21)30-12-7-17(8-13-30)14-28-24(34)25(9-10-25)29-23(33)18-4-3-11-27-15-18/h2-6,11,15-17,31H,7-10,12-14H2,1H3,(H,28,34)(H,29,33)
InChIKeyXYOZXMUAOJLZHL-UHFFFAOYSA-N
XLogP2.59
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide (CID 70889857) is N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide is CC(O)C(=O)c1c(Cl)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide?
The InChIKey is XYOZXMUAOJLZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-16(31)22(32)21-19(26)5-2-6-20(21)30-12-7-17(8-13-30)14-28-24(34)25(9-10-25)29-23(33)18-4-3-11-27-15-18/h2-6,11,15-17,31H,7-10,12-14H2,1H3,(H,28,34)(H,29,33).
What are the key properties of N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide?
N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 70889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).