N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide

C24H33N5O — CID 23819938

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)Cc1nc2cc(C(=O)NCc3cccc(CN)c3)ccn2c1NC(C)(C)C
InChIInChI=1S/C24H33N5O/c1-16(2)11-20-22(28-24(3,4)5)29-10-9-19(13-21(29)27-20)23(30)26-15-18-8-6-7-17(12-18)14-25/h6-10,12-13,16,28H,11,14-15,25H2,1-5H3,(H,26,30)
InChIKeyZHOYVNAQKYGBNG-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.13
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23819938) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23819938
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)Cc1nc2cc(C(=O)NCc3cccc(CN)c3)ccn2c1NC(C)(C)C
InChIInChI=1S/C24H33N5O/c1-16(2)11-20-22(28-24(3,4)5)29-10-9-19(13-21(29)27-20)23(30)26-15-18-8-6-7-17(12-18)14-25/h6-10,12-13,16,28H,11,14-15,25H2,1-5H3,(H,26,30)
InChIKeyZHOYVNAQKYGBNG-UHFFFAOYSA-N
XLogP4.13
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
CID 23731533
methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23768915
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23736368
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23880957
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
2-[[2-(1-acetylindol-3-yl)-3-(tert-butylamino)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenylpropanoic acid
CID 23738143
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3-N,6-N-bis[[3-(aminomethyl)phenyl]methyl]-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
CID 59153726

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23819938) is N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide is CC(C)Cc1nc2cc(C(=O)NCc3cccc(CN)c3)ccn2c1NC(C)(C)C.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is ZHOYVNAQKYGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-16(2)11-20-22(28-24(3,4)5)29-10-9-19(13-21(29)27-20)23(30)26-15-18-8-6-7-17(12-18)14-25/h6-10,12-13,16,28H,11,14-15,25H2,1-5H3,(H,26,30).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(tert-butylamino)-2-(2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).