N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine

C15H14N6O — CID 154584905

IUPACN-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
SMILESCc1ncc(NO)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H14N6O/c1-10-14(7-12(21-22)9-18-10)20-15-17-6-4-13(19-15)11-3-2-5-16-8-11/h2-9,21-22H,1H3,(H,17,19,20)
InChIKeySDFWNTJCXXPLFD-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.79
Rot. Bonds4

About N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine

N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine (PubChem CID 154584905) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
PubChem CID154584905
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC NameN-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
SMILESCc1ncc(NO)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H14N6O/c1-10-14(7-12(21-22)9-18-10)20-15-17-6-4-13(19-15)11-3-2-5-16-8-11/h2-9,21-22H,1H3,(H,17,19,20)
InChIKeySDFWNTJCXXPLFD-UHFFFAOYSA-N
XLogP2.79
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688875
3-(4-methylpiperazin-1-yl)-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 155689009
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
N-(2-methyl-5-nitro-3-pyridinyl)-4-phenylpyrimidin-2-amine
CID 66957994
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine?
The IUPAC name of N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine (CID 154584905) is N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine?
The canonical SMILES for N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine is Cc1ncc(NO)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine?
The InChIKey is SDFWNTJCXXPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-10-14(7-12(21-22)9-18-10)20-15-17-6-4-13(19-15)11-3-2-5-16-8-11/h2-9,21-22H,1H3,(H,17,19,20).
What are the key properties of N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine?
N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine has a molecular weight of 294.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine is sourced from PubChem (CID 154584905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).