3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C19H20N4O2 — CID 111338613

IUPAC3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1
InChIInChI=1S/C19H20N4O2/c20-12-15-3-1-4-16(11-15)19(25)22-17-5-2-8-21-18(17)23-9-6-14(13-24)7-10-23/h1-5,8,11,14,24H,6-7,9-10,13H2,(H,22,25)
InChIKeyUPRPPRNWESTRGA-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds4

About 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide

3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 111338613) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID111338613
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1
InChIInChI=1S/C19H20N4O2/c20-12-15-3-1-4-16(11-15)19(25)22-17-5-2-8-21-18(17)23-9-6-14(13-24)7-10-23/h1-5,8,11,14,24H,6-7,9-10,13H2,(H,22,25)
InChIKeyUPRPPRNWESTRGA-UHFFFAOYSA-N
XLogP2.41
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
CID 95337144
3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
3-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109949
3-cyano-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]benzamide
CID 126712015

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 111338613) is 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide is N#Cc1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is UPRPPRNWESTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-12-15-3-1-4-16(11-15)19(25)22-17-5-2-8-21-18(17)23-9-6-14(13-24)7-10-23/h1-5,8,11,14,24H,6-7,9-10,13H2,(H,22,25).
What are the key properties of 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 111338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).