4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide

C19H22N4O — CID 166372456

IUPAC4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide
SMILESCC(CCc1[nH]nc2ccccc12)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H22N4O/c1-13(21-12-14-7-9-15(10-8-14)19(20)24)6-11-18-16-4-2-3-5-17(16)22-23-18/h2-5,7-10,13,21H,6,11-12H2,1H3,(H2,20,24)(H,22,23)
InChIKeyYTMDMGCOFKVYAS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.77
Rot. Bonds7

About 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide

4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide (PubChem CID 166372456) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide
PubChem CID166372456
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide
SMILESCC(CCc1[nH]nc2ccccc12)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H22N4O/c1-13(21-12-14-7-9-15(10-8-14)19(20)24)6-11-18-16-4-2-3-5-17(16)22-23-18/h2-5,7-10,13,21H,6,11-12H2,1H3,(H2,20,24)(H,22,23)
InChIKeyYTMDMGCOFKVYAS-UHFFFAOYSA-N
XLogP2.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
4-[(4-ethylsulfanylbutan-2-ylamino)methyl]benzamide
CID 115660454
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111172270
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide?
The IUPAC name of 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide (CID 166372456) is 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide.
What is the SMILES notation for 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide?
The canonical SMILES for 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide is CC(CCc1[nH]nc2ccccc12)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide?
The InChIKey is YTMDMGCOFKVYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(21-12-14-7-9-15(10-8-14)19(20)24)6-11-18-16-4-2-3-5-17(16)22-23-18/h2-5,7-10,13,21H,6,11-12H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide?
4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 166372456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).