N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide

C21H26N4O2 — CID 55634621

IUPACN-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-2-11-25-12-8-18(9-13-25)23-20(26)16-5-3-7-19(14-16)24-21(27)17-6-4-10-22-15-17/h3-7,10,14-15,18H,2,8-9,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyPKXLEFYKQTXOGE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.94
Rot. Bonds6

About N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55634621) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55634621
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-2-11-25-12-8-18(9-13-25)23-20(26)16-5-3-7-19(14-16)24-21(27)17-6-4-10-22-15-17/h3-7,10,14-15,18H,2,8-9,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyPKXLEFYKQTXOGE-UHFFFAOYSA-N
XLogP2.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 55634621) is N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide is CCCN1CCC(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1.
What is the InChIKey of N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is PKXLEFYKQTXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-11-25-12-8-18(9-13-25)23-20(26)16-5-3-7-19(14-16)24-21(27)17-6-4-10-22-15-17/h3-7,10,14-15,18H,2,8-9,11-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55634621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).