N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide

C20H22N6O — CID 143908002

IUPACN'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
SMILESC=C/N=C(\N=C)c1ccn2c(-c3cccc(NCC)c3)cnc2c1.NC=O
InChIInChI=1S/C19H19N5.CH3NO/c1-4-21-16-8-6-7-14(11-16)17-13-23-18-12-15(9-10-24(17)18)19(20-3)22-5-2;2-1-3/h5-13,21H,2-4H2,1H3;1H,(H2,2,3)/b22-19-;
InChIKeyZWJKOEGGCKLVQA-GXTSIBQPSA-N
MW362.44 g/mol
LogP3.13
Rot. Bonds5

About N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide

N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide (PubChem CID 143908002) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide.

Molecular Properties

Compound NameN'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
PubChem CID143908002
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
SMILESC=C/N=C(\N=C)c1ccn2c(-c3cccc(NCC)c3)cnc2c1.NC=O
InChIInChI=1S/C19H19N5.CH3NO/c1-4-21-16-8-6-7-14(11-16)17-13-23-18-12-15(9-10-24(17)18)19(20-3)22-5-2;2-1-3/h5-13,21H,2-4H2,1H3;1H,(H2,2,3)/b22-19-;
InChIKeyZWJKOEGGCKLVQA-GXTSIBQPSA-N
XLogP3.13
TPSA97.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 161390343
1-[3-[7-[N'-[(E)-5-methylhept-3-en-4-yl]carbamimidoyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143706985
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
3-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
1-[3-[7-[1-(methoxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 123311856
N-ethyl-3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide;formic acid
CID 68595103
2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-yl formate
CID 87510363
N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143706859
1-[3-[7-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2-difluoro-2-phosphanylethyl)urea
CID 143908204
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
CID 143706846
1-[3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 138541503

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide?
The IUPAC name of N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide (CID 143908002) is N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide.
What is the SMILES notation for N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide?
The canonical SMILES for N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide is C=C/N=C(\N=C)c1ccn2c(-c3cccc(NCC)c3)cnc2c1.NC=O.
What is the InChIKey of N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide?
The InChIKey is ZWJKOEGGCKLVQA-GXTSIBQPSA-N. The full InChI is InChI=1S/C19H19N5.CH3NO/c1-4-21-16-8-6-7-14(11-16)17-13-23-18-12-15(9-10-24(17)18)19(20-3)22-5-2;2-1-3/h5-13,21H,2-4H2,1H3;1H,(H2,2,3)/b22-19-;.
What are the key properties of N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide?
N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide has a molecular weight of 362.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide is sourced from PubChem (CID 143908002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).