N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide

C23H23N5O2 — CID 146208882

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1
InChIInChI=1S/C23H23N5O2/c1-14-19-11-15(6-7-20(19)28-27-14)16-8-9-25-21(12-16)23(29)26-22(13-24)17-4-3-5-18(10-17)30-2/h3-12,22H,13,24H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyNLDHEYLJTMKCDH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.37
Rot. Bonds6

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 146208882) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
PubChem CID146208882
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1
InChIInChI=1S/C23H23N5O2/c1-14-19-11-15(6-7-20(19)28-27-14)16-8-9-25-21(12-16)23(29)26-22(13-24)17-4-3-5-18(10-17)30-2/h3-12,22H,13,24H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyNLDHEYLJTMKCDH-UHFFFAOYSA-N
XLogP3.37
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide (CID 146208882) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The InChIKey is NLDHEYLJTMKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-19-11-15(6-7-20(19)28-27-14)16-8-9-25-21(12-16)23(29)26-22(13-24)17-4-3-5-18(10-17)30-2/h3-12,22H,13,24H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146208882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).