2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

C12H13ClN6O — CID 62236272

IUPAC2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1nccc(CNC(=O)c2cc(Cl)nc(NN)c2)n1
InChIInChI=1S/C12H13ClN6O/c1-7-15-3-2-9(17-7)6-16-12(20)8-4-10(13)18-11(5-8)19-14/h2-5H,6,14H2,1H3,(H,16,20)(H,18,19)
InChIKeyXOWDEXCGNYYDKF-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.05
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 62236272) has the molecular formula C12H13ClN6O and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID62236272
Molecular FormulaC12H13ClN6O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1nccc(CNC(=O)c2cc(Cl)nc(NN)c2)n1
InChIInChI=1S/C12H13ClN6O/c1-7-15-3-2-9(17-7)6-16-12(20)8-4-10(13)18-11(5-8)19-14/h2-5H,6,14H2,1H3,(H,16,20)(H,18,19)
InChIKeyXOWDEXCGNYYDKF-UHFFFAOYSA-N
XLogP1.05
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
2-chloro-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 62248382
2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701884
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62236748
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (CID 62236272) is 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is Cc1nccc(CNC(=O)c2cc(Cl)nc(NN)c2)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is XOWDEXCGNYYDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O/c1-7-15-3-2-9(17-7)6-16-12(20)8-4-10(13)18-11(5-8)19-14/h2-5H,6,14H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 62236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).