N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide

C22H26N4O3 — CID 55834532

IUPACN-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-18-8-9-18)17-5-1-6-19(12-17)25-22(28)26(15-20-7-3-11-29-20)14-16-4-2-10-23-13-16/h1-2,4-6,10,12-13,18,20H,3,7-9,11,14-15H2,(H,24,27)(H,25,28)
InChIKeyPDDVVWUNMLQTPO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.19
Rot. Bonds7

About N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide

N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide (PubChem CID 55834532) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
PubChem CID55834532
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-18-8-9-18)17-5-1-6-19(12-17)25-22(28)26(15-20-7-3-11-29-20)14-16-4-2-10-23-13-16/h1-2,4-6,10,12-13,18,20H,3,7-9,11,14-15H2,(H,24,27)(H,25,28)
InChIKeyPDDVVWUNMLQTPO-UHFFFAOYSA-N
XLogP3.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153329
(2R)-N-[3-[[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153327
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
1-[[(2R)-oxolan-2-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)-1-(pyridin-3-ylmethyl)urea
CID 52518364
3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 55994012
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045
3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4522378
3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 52504290
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 51119090
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 52518354

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide (CID 55834532) is N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide is O=C(NC1CC1)c1cccc(NC(=O)N(Cc2cccnc2)CC2CCCO2)c1.
What is the InChIKey of N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide?
The InChIKey is PDDVVWUNMLQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(24-18-8-9-18)17-5-1-6-19(12-17)25-22(28)26(15-20-7-3-11-29-20)14-16-4-2-10-23-13-16/h1-2,4-6,10,12-13,18,20H,3,7-9,11,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide?
N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 55834532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).