(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide

C18H23N5O2 — CID 95979828

IUPAC(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)NCc1cn2c(n1)CCCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-13(17(24)22-14-7-3-2-4-8-14)20-18(25)19-11-15-12-23-10-6-5-9-16(23)21-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,22,24)(H2,19,20,25)/t13-/m0/s1
InChIKeyANOBXLKGRVDHAZ-ZDUSSCGKSA-N
MW341.42 g/mol
LogP2.05
Rot. Bonds5

About (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide

(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide (PubChem CID 95979828) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide
PubChem CID95979828
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)NCc1cn2c(n1)CCCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-13(17(24)22-14-7-3-2-4-8-14)20-18(25)19-11-15-12-23-10-6-5-9-16(23)21-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,22,24)(H2,19,20,25)/t13-/m0/s1
InChIKeyANOBXLKGRVDHAZ-ZDUSSCGKSA-N
XLogP2.05
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
CID 166203175
1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 136559224
1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 136588157
1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 42892000
1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 154736083
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
N-phenyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide
CID 119119157
2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 86879923
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
N-phenyl-2-(piperidin-1-ylamino)propanamide
CID 83014289

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide (CID 95979828) is (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide is C[C@H](NC(=O)NCc1cn2c(n1)CCCC2)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide?
The InChIKey is ANOBXLKGRVDHAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(17(24)22-14-7-3-2-4-8-14)20-18(25)19-11-15-12-23-10-6-5-9-16(23)21-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,22,24)(H2,19,20,25)/t13-/m0/s1.
What are the key properties of (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide?
(2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide has a molecular weight of 341.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)propanamide is sourced from PubChem (CID 95979828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).