N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C20H22N4O3 — CID 170858711

IUPACN-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O3/c1-13(19(25)21-12-11-14-7-9-15(27-2)10-8-14)22-20(26)18-16-5-3-4-6-17(16)23-24-18/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyPHDGRNSVPFFZLC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.05
Rot. Bonds7

About N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 170858711) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID170858711
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O3/c1-13(19(25)21-12-11-14-7-9-15(27-2)10-8-14)22-20(26)18-16-5-3-4-6-17(16)23-24-18/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyPHDGRNSVPFFZLC-UHFFFAOYSA-N
XLogP2.05
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7956505
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 86887251
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 170858711) is N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is COc1ccc(CCNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is PHDGRNSVPFFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(19(25)21-12-11-14-7-9-15(27-2)10-8-14)22-20(26)18-16-5-3-4-6-17(16)23-24-18/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).