N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide

C20H22N4O3 — CID 99433632

IUPACN-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N4O3/c1-27-15-6-4-5-14(13-15)9-11-21-18(25)10-12-22-20(26)19-16-7-2-3-8-17(16)23-24-19/h2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJILMUVRXVXMMQR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.05
Rot. Bonds8

About N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide

N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 99433632) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID99433632
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N4O3/c1-27-15-6-4-5-14(13-15)9-11-21-18(25)10-12-22-20(26)19-16-7-2-3-8-17(16)23-24-19/h2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJILMUVRXVXMMQR-UHFFFAOYSA-N
XLogP2.05
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 107843338
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide (CID 99433632) is N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide is COc1cccc(CCNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is JILMUVRXVXMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-15-6-4-5-14(13-15)9-11-21-18(25)10-12-22-20(26)19-16-7-2-3-8-17(16)23-24-19/h2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).