N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide

C20H18N8O — CID 19152023

IUPACN'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCc1ccc2c(Nc3ncnc(NNC(=O)c4ccccn4)c3N)cccc2n1
InChIInChI=1S/C20H18N8O/c1-12-8-9-13-14(25-12)6-4-7-15(13)26-18-17(21)19(24-11-23-18)27-28-20(29)16-5-2-3-10-22-16/h2-11H,21H2,1H3,(H,28,29)(H2,23,24,26,27)
InChIKeyZQOADFSTLKCLBN-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.81
Rot. Bonds5

About N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 19152023) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID19152023
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCc1ccc2c(Nc3ncnc(NNC(=O)c4ccccn4)c3N)cccc2n1
InChIInChI=1S/C20H18N8O/c1-12-8-9-13-14(25-12)6-4-7-15(13)26-18-17(21)19(24-11-23-18)27-28-20(29)16-5-2-3-10-22-16/h2-11H,21H2,1H3,(H,28,29)(H2,23,24,26,27)
InChIKeyZQOADFSTLKCLBN-UHFFFAOYSA-N
XLogP2.81
TPSA130.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
2-methoxy-N'-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536158
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19150610
6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19140413
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 19152023) is N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide is Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccccn4)c3N)cccc2n1.
What is the InChIKey of N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is ZQOADFSTLKCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-12-8-9-13-14(25-12)6-4-7-15(13)26-18-17(21)19(24-11-23-18)27-28-20(29)16-5-2-3-10-22-16/h2-11H,21H2,1H3,(H,28,29)(H2,23,24,26,27).
What are the key properties of N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 386.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 19152023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).