1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea

C21H20ClN5O2 — CID 130437400

IUPAC1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea
SMILESNc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1cccnc1)C1CC[C@H]1O
InChIInChI=1S/C21H20ClN5O2/c22-14-4-1-3-13(11-14)17-7-6-16(23)20(26-17)27(18-8-9-19(18)28)21(29)25-15-5-2-10-24-12-15/h1-7,10-12,18-19,28H,8-9,23H2,(H,25,29)/t18?,19-/m1/s1
InChIKeyWTKKKHNFHGIMAA-MUMRKEEXSA-N
MW409.88 g/mol
LogP3.94
Rot. Bonds4

About 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea

1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea (PubChem CID 130437400) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea
PubChem CID130437400
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea
SMILESNc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1cccnc1)C1CC[C@H]1O
InChIInChI=1S/C21H20ClN5O2/c22-14-4-1-3-13(11-14)17-7-6-16(23)20(26-17)27(18-8-9-19(18)28)21(29)25-15-5-2-10-24-12-15/h1-7,10-12,18-19,28H,8-9,23H2,(H,25,29)/t18?,19-/m1/s1
InChIKeyWTKKKHNFHGIMAA-MUMRKEEXSA-N
XLogP3.94
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

3-(3-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 46949489
1-[3-amino-6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-1-cyclobutyl-3-pyrazin-2-ylurea
CID 130437526
1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea
CID 154726993
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide
CID 99627345
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
1-(3-chlorophenyl)-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784338
5-amino-N-(3-chlorophenyl)-3-(pyridin-3-ylamino)-1,2,4-triazole-1-carboxamide
CID 58977035
2-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676844
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea (CID 130437400) is 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea is Nc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1cccnc1)C1CC[C@H]1O.
What is the InChIKey of 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea?
The InChIKey is WTKKKHNFHGIMAA-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-14-4-1-3-13(11-14)17-7-6-16(23)20(26-17)27(18-8-9-19(18)28)21(29)25-15-5-2-10-24-12-15/h1-7,10-12,18-19,28H,8-9,23H2,(H,25,29)/t18?,19-/m1/s1.
What are the key properties of 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea?
1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea has a molecular weight of 409.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-chlorophenyl)-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 130437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).