N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine

C14H13N5O2 — CID 62465969

IUPACN-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2ncc3ccc([N+](=O)[O-])cc32)ccn1
InChIInChI=1S/C14H13N5O2/c1-15-14-6-10(4-5-16-14)9-18-13-7-12(19(20)21)3-2-11(13)8-17-18/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQDNHGHPYAJPGIF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.43
Rot. Bonds4

About N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine

N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62465969) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
PubChem CID62465969
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2ncc3ccc([N+](=O)[O-])cc32)ccn1
InChIInChI=1S/C14H13N5O2/c1-15-14-6-10(4-5-16-14)9-18-13-7-12(19(20)21)3-2-11(13)8-17-18/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQDNHGHPYAJPGIF-UHFFFAOYSA-N
XLogP2.43
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine (CID 62465969) is N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine is CNc1cc(Cn2ncc3ccc([N+](=O)[O-])cc32)ccn1.
What is the InChIKey of N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is QDNHGHPYAJPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-15-14-6-10(4-5-16-14)9-18-13-7-12(19(20)21)3-2-11(13)8-17-18/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 283.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62465969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).