1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C20H27N5O — CID 55740490

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-24(2)18(16-8-4-3-5-9-16)15-22-20(26)23-17-10-11-19(21-14-17)25-12-6-7-13-25/h3-5,8-11,14,18H,6-7,12-13,15H2,1-2H3,(H2,22,23,26)
InChIKeyNQEPPWYETOSIFT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.11
Rot. Bonds6

About 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 55740490) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID55740490
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-24(2)18(16-8-4-3-5-9-16)15-22-20(26)23-17-10-11-19(21-14-17)25-12-6-7-13-25/h3-5,8-11,14,18H,6-7,12-13,15H2,1-2H3,(H2,22,23,26)
InChIKeyNQEPPWYETOSIFT-UHFFFAOYSA-N
XLogP3.11
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499736
1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040363
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 94146430
1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47040323
1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 95187313
1-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857808
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 55740490) is 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CN(C)C(CNC(=O)Nc1ccc(N2CCCC2)nc1)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is NQEPPWYETOSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24(2)18(16-8-4-3-5-9-16)15-22-20(26)23-17-10-11-19(21-14-17)25-12-6-7-13-25/h3-5,8-11,14,18H,6-7,12-13,15H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 353.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 55740490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).