4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide

C18H21N5O2 — CID 133468526

IUPAC4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H21N5O2/c19-17(24)15-12-20-9-6-16(15)23-10-7-14(8-11-23)22-18(25)21-13-4-2-1-3-5-13/h1-6,9,12,14H,7-8,10-11H2,(H2,19,24)(H2,21,22,25)
InChIKeyZYZGPSAZTLGQHF-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.97
Rot. Bonds4

About 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide

4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133468526) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133468526
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H21N5O2/c19-17(24)15-12-20-9-6-16(15)23-10-7-14(8-11-23)22-18(25)21-13-4-2-1-3-5-13/h1-6,9,12,14H,7-8,10-11H2,(H2,19,24)(H2,21,22,25)
InChIKeyZYZGPSAZTLGQHF-UHFFFAOYSA-N
XLogP1.97
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide (CID 133468526) is 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZYZGPSAZTLGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-17(24)15-12-20-9-6-16(15)23-10-7-14(8-11-23)22-18(25)21-13-4-2-1-3-5-13/h1-6,9,12,14H,7-8,10-11H2,(H2,19,24)(H2,21,22,25).
What are the key properties of 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide?
4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133468526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).