1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea

C20H29N5O — CID 113036973

IUPAC1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-6-25(7-2)17-9-10-18(15(5)12-17)23-16-8-11-19(21-13-16)24-20(26)22-14(3)4/h8-14,23H,6-7H2,1-5H3,(H2,21,22,24,26)
InChIKeyLLEHXKAKEHTMTF-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.51
Rot. Bonds7

About 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea

1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113036973) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113036973
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-6-25(7-2)17-9-10-18(15(5)12-17)23-16-8-11-19(21-13-16)24-20(26)22-14(3)4/h8-14,23H,6-7H2,1-5H3,(H2,21,22,24,26)
InChIKeyLLEHXKAKEHTMTF-UHFFFAOYSA-N
XLogP4.51
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.51
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-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113029739
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-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea (CID 113036973) is 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea is CCN(CC)c1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)c(C)c1.
What is the InChIKey of 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is LLEHXKAKEHTMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-6-25(7-2)17-9-10-18(15(5)12-17)23-16-8-11-19(21-13-16)24-20(26)22-14(3)4/h8-14,23H,6-7H2,1-5H3,(H2,21,22,24,26).
What are the key properties of 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea?
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 355.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113036973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).