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

C26H29N5O2 — CID 146208904

IUPACN-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CNC(C)C)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1
InChIInChI=1S/C26H29N5O2/c1-16(2)28-15-25(20-6-5-7-21(12-20)33-4)29-26(32)24-14-19(10-11-27-24)18-8-9-23-22(13-18)17(3)30-31-23/h5-14,16,25,28H,15H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyIIPZUHNCBGIOST-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.41
Rot. Bonds8

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

N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 146208904) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
PubChem CID146208904
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CNC(C)C)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1
InChIInChI=1S/C26H29N5O2/c1-16(2)28-15-25(20-6-5-7-21(12-20)33-4)29-26(32)24-14-19(10-11-27-24)18-8-9-23-22(13-18)17(3)30-31-23/h5-14,16,25,28H,15H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyIIPZUHNCBGIOST-UHFFFAOYSA-N
XLogP4.41
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide (CID 146208904) is N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide is COc1cccc(C(CNC(C)C)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccn2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
The InChIKey is IIPZUHNCBGIOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16(2)28-15-25(20-6-5-7-21(12-20)33-4)29-26(32)24-14-19(10-11-27-24)18-8-9-23-22(13-18)17(3)30-31-23/h5-14,16,25,28H,15H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide?
N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146208904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).