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

C19H19BrN4O3 — CID 86887344

IUPACN-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1Br
InChIInChI=1S/C19H19BrN4O3/c1-11(18(25)21-10-12-7-8-16(27-2)14(20)9-12)22-19(26)17-13-5-3-4-6-15(13)23-24-17/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNZWOXJMBAQZXAA-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.77
Rot. Bonds6

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

N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86887344) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID86887344
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC NameN-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1Br
InChIInChI=1S/C19H19BrN4O3/c1-11(18(25)21-10-12-7-8-16(27-2)14(20)9-12)22-19(26)17-13-5-3-4-6-15(13)23-24-17/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNZWOXJMBAQZXAA-UHFFFAOYSA-N
XLogP2.77
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 86887251
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
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
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 86887344) is N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is COc1ccc(CNC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)cc1Br.
What is the InChIKey of N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is NZWOXJMBAQZXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-11(18(25)21-10-12-7-8-16(27-2)14(20)9-12)22-19(26)17-13-5-3-4-6-15(13)23-24-17/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86887344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).