N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen

C16H18N4O — CID 162526966

IUPACN-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)Nc1ccnc(-c2ccc3n[nH]c(C)c3c2)c1.[H][H].[H][H]
InChIInChI=1S/C16H14N4O.2H2/c1-3-16(21)18-12-6-7-17-15(9-12)11-4-5-14-13(8-11)10(2)19-20-14;;/h3-9H,1H2,2H3,(H,19,20)(H,17,18,21);2*1H
InChIKeyQYTLMVZFKHTENH-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.55
Rot. Bonds3

About N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen

N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen (PubChem CID 162526966) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen
PubChem CID162526966
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)Nc1ccnc(-c2ccc3n[nH]c(C)c3c2)c1.[H][H].[H][H]
InChIInChI=1S/C16H14N4O.2H2/c1-3-16(21)18-12-6-7-17-15(9-12)11-4-5-14-13(8-11)10(2)19-20-14;;/h3-9H,1H2,2H3,(H,19,20)(H,17,18,21);2*1H
InChIKeyQYTLMVZFKHTENH-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen?
The IUPAC name of N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen (CID 162526966) is N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen?
The canonical SMILES for N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen is C=CC(=O)Nc1ccnc(-c2ccc3n[nH]c(C)c3c2)c1.[H][H].[H][H].
What is the InChIKey of N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen?
The InChIKey is QYTLMVZFKHTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O.2H2/c1-3-16(21)18-12-6-7-17-15(9-12)11-4-5-14-13(8-11)10(2)19-20-14;;/h3-9H,1H2,2H3,(H,19,20)(H,17,18,21);2*1H.
What are the key properties of N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen?
N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen has a molecular weight of 282.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen is sourced from PubChem (CID 162526966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).