N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide

C16H23N5O — CID 71893430

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)NCCc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-19-8-4-10-20(12-11-19)16(22)17-7-6-14-13-21-9-3-2-5-15(21)18-14/h2-3,5,9,13H,4,6-8,10-12H2,1H3,(H,17,22)
InChIKeyNTNMVKKVYXETMH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds3

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 71893430) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID71893430
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)NCCc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-19-8-4-10-20(12-11-19)16(22)17-7-6-14-13-21-9-3-2-5-15(21)18-14/h2-3,5,9,13H,4,6-8,10-12H2,1H3,(H,17,22)
InChIKeyNTNMVKKVYXETMH-UHFFFAOYSA-N
XLogP1.22
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87003226
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184637
(1R,5R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 125139995
1-(cyclopropylmethyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-propylurea
CID 87003238
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methylthiophene-2-carboxamide
CID 31008232
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide (CID 71893430) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide is CN1CCCN(C(=O)NCCc2cn3ccccc3n2)CC1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is NTNMVKKVYXETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-8-4-10-20(12-11-19)16(22)17-7-6-14-13-21-9-3-2-5-15(21)18-14/h2-3,5,9,13H,4,6-8,10-12H2,1H3,(H,17,22).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71893430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).