N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide

C15H21ClN4O — CID 115625685

IUPACN-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H21ClN4O/c1-15(2,3)19-14(21)6-7-17-8-12-10-20-9-11(16)4-5-13(20)18-12/h4-5,9-10,17H,6-8H2,1-3H3,(H,19,21)
InChIKeyGEQMUGOTRFMTCW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.38
Rot. Bonds5

About N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide

N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide (PubChem CID 115625685) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
PubChem CID115625685
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H21ClN4O/c1-15(2,3)19-14(21)6-7-17-8-12-10-20-9-11(16)4-5-13(20)18-12/h4-5,9-10,17H,6-8H2,1-3H3,(H,19,21)
InChIKeyGEQMUGOTRFMTCW-UHFFFAOYSA-N
XLogP2.38
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115625613
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentanamide
CID 106237592
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
CID 115632465
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
CID 115632290
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838801
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491273

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide (CID 115625685) is N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide is CC(C)(C)NC(=O)CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide?
The InChIKey is GEQMUGOTRFMTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-15(2,3)19-14(21)6-7-17-8-12-10-20-9-11(16)4-5-13(20)18-12/h4-5,9-10,17H,6-8H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide?
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide has a molecular weight of 308.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide is sourced from PubChem (CID 115625685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).