N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide

C20H22N8O — CID 46854707

IUPACN'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1
InChIInChI=1S/C20H22N8O/c29-17(15-9-11-21-12-10-15)26-27-19-23-18(22-16-7-3-1-4-8-16)24-20(25-19)28-13-5-2-6-14-28/h1,3-4,7-12H,2,5-6,13-14H2,(H,26,29)(H2,22,23,24,25,27)
InChIKeyUILIHQIAPPXBKQ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.76
Rot. Bonds6

About N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide

N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide (PubChem CID 46854707) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
PubChem CID46854707
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1
InChIInChI=1S/C20H22N8O/c29-17(15-9-11-21-12-10-15)26-27-19-23-18(22-16-7-3-1-4-8-16)24-20(25-19)28-13-5-2-6-14-28/h1,3-4,7-12H,2,5-6,13-14H2,(H,26,29)(H2,22,23,24,25,27)
InChIKeyUILIHQIAPPXBKQ-UHFFFAOYSA-N
XLogP2.76
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 155545896
2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
CID 4767508
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
1-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-phenylthiourea
CID 124555504
4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide
CID 50874129
(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 92575045
N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
CID 71591650
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide (CID 46854707) is N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide is O=C(NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1.
What is the InChIKey of N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide?
The InChIKey is UILIHQIAPPXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c29-17(15-9-11-21-12-10-15)26-27-19-23-18(22-16-7-3-1-4-8-16)24-20(25-19)28-13-5-2-6-14-28/h1,3-4,7-12H,2,5-6,13-14H2,(H,26,29)(H2,22,23,24,25,27).
What are the key properties of N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide?
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide has a molecular weight of 390.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 46854707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).