3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H29N5O2 — CID 95555697

IUPAC3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2c(CN(C)[C@@H](C)C(N)=O)c(C(=O)N(C)CCc3ccccc3)nc12
InChIInChI=1S/C23H29N5O2/c1-16-9-8-13-28-19(15-27(4)17(2)21(24)29)20(25-22(16)28)23(30)26(3)14-12-18-10-6-5-7-11-18/h5-11,13,17H,12,14-15H2,1-4H3,(H2,24,29)/t17-/m0/s1
InChIKeyYHVRKIALXWTMDQ-KRWDZBQOSA-N
MW407.52 g/mol
LogP2.26
Rot. Bonds8

About 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95555697) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95555697
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2c(CN(C)[C@@H](C)C(N)=O)c(C(=O)N(C)CCc3ccccc3)nc12
InChIInChI=1S/C23H29N5O2/c1-16-9-8-13-28-19(15-27(4)17(2)21(24)29)20(25-22(16)28)23(30)26(3)14-12-18-10-6-5-7-11-18/h5-11,13,17H,12,14-15H2,1-4H3,(H2,24,29)/t17-/m0/s1
InChIKeyYHVRKIALXWTMDQ-KRWDZBQOSA-N
XLogP2.26
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1-amino-1-oxopropan-2-yl)-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56876006
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N,8-dimethyl-3-[[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226148
N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226147
N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42596863
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 29022785
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45242762

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 95555697) is 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccn2c(CN(C)[C@@H](C)C(N)=O)c(C(=O)N(C)CCc3ccccc3)nc12.
What is the InChIKey of 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YHVRKIALXWTMDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-9-8-13-28-19(15-27(4)17(2)21(24)29)20(25-22(16)28)23(30)26(3)14-12-18-10-6-5-7-11-18/h5-11,13,17H,12,14-15H2,1-4H3,(H2,24,29)/t17-/m0/s1.
What are the key properties of 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95555697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).