1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea

C21H26N4O3 — CID 72841229

IUPAC1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCC(C)Oc1cccnc1
InChIInChI=1S/C21H26N4O3/c1-15-12-17(20(26)25-10-3-4-11-25)7-8-19(15)24-21(27)23-13-16(2)28-18-6-5-9-22-14-18/h5-9,12,14,16H,3-4,10-11,13H2,1-2H3,(H2,23,24,27)
InChIKeyUNKWNILKIZKIHF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea

1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea (PubChem CID 72841229) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea.

Molecular Properties

Compound Name1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea
PubChem CID72841229
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCC(C)Oc1cccnc1
InChIInChI=1S/C21H26N4O3/c1-15-12-17(20(26)25-10-3-4-11-25)7-8-19(15)24-21(27)23-13-16(2)28-18-6-5-9-22-14-18/h5-9,12,14,16H,3-4,10-11,13H2,1-2H3,(H2,23,24,27)
InChIKeyUNKWNILKIZKIHF-UHFFFAOYSA-N
XLogP3.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 118764759
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131900400
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111685162
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 131949462

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea?
The IUPAC name of 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea (CID 72841229) is 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea.
What is the SMILES notation for 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea?
The canonical SMILES for 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCC(C)Oc1cccnc1.
What is the InChIKey of 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea?
The InChIKey is UNKWNILKIZKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-12-17(20(26)25-10-3-4-11-25)7-8-19(15)24-21(27)23-13-16(2)28-18-6-5-9-22-14-18/h5-9,12,14,16H,3-4,10-11,13H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea?
1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea has a molecular weight of 382.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-3-yloxypropyl)urea is sourced from PubChem (CID 72841229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).