1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea

C19H22N4O — CID 95308041

IUPAC1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)c3ccncc3)c12
InChIInChI=1S/C19H22N4O/c1-13-4-3-5-17-18(13)16(12-22-17)8-11-21-19(24)23-14(2)15-6-9-20-10-7-15/h3-7,9-10,12,14,22H,8,11H2,1-2H3,(H2,21,23,24)/t14-/m0/s1
InChIKeyKQDPDYAONFSVTG-AWEZNQCLSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea

1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 95308041) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID95308041
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)c3ccncc3)c12
InChIInChI=1S/C19H22N4O/c1-13-4-3-5-17-18(13)16(12-22-17)8-11-21-19(24)23-14(2)15-6-9-20-10-7-15/h3-7,9-10,12,14,22H,8,11H2,1-2H3,(H2,21,23,24)/t14-/m0/s1
InChIKeyKQDPDYAONFSVTG-AWEZNQCLSA-N
XLogP3.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea with MolForge

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Related Compounds

1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95308042
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110949844
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea (CID 95308041) is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea is Cc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)c3ccncc3)c12.
What is the InChIKey of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is KQDPDYAONFSVTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-4-3-5-17-18(13)16(12-22-17)8-11-21-19(24)23-14(2)15-6-9-20-10-7-15/h3-7,9-10,12,14,22H,8,11H2,1-2H3,(H2,21,23,24)/t14-/m0/s1.
What are the key properties of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea?
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 322.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 95308041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).