1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea

C20H27N5O — CID 113036974

IUPAC1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)c(C)c1
InChIInChI=1S/C20H27N5O/c1-4-25(5-2)17-9-10-18(14(3)12-17)22-16-8-11-19(21-13-16)24-20(26)23-15-6-7-15/h8-13,15,22H,4-7H2,1-3H3,(H2,21,23,24,26)
InChIKeyVNVBXPKUAPYYRU-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.26
Rot. Bonds7

About 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea

1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea (PubChem CID 113036974) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
PubChem CID113036974
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)c(C)c1
InChIInChI=1S/C20H27N5O/c1-4-25(5-2)17-9-10-18(14(3)12-17)22-16-8-11-19(21-13-16)24-20(26)23-15-6-7-15/h8-13,15,22H,4-7H2,1-3H3,(H2,21,23,24,26)
InChIKeyVNVBXPKUAPYYRU-UHFFFAOYSA-N
XLogP4.26
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
CID 113032861
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea (CID 113036974) is 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea is CCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea?
The InChIKey is VNVBXPKUAPYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-25(5-2)17-9-10-18(14(3)12-17)22-16-8-11-19(21-13-16)24-20(26)23-15-6-7-15/h8-13,15,22H,4-7H2,1-3H3,(H2,21,23,24,26).
What are the key properties of 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea?
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea has a molecular weight of 353.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea is sourced from PubChem (CID 113036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).