3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide

C18H19BrClN3O2 — CID 118486060

IUPAC3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccncc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c19-11-5-6-14(13(20)9-11)22-16-10-21-8-7-12(16)18(25)23-15-3-1-2-4-17(15)24/h5-10,15,17,22,24H,1-4H2,(H,23,25)/t15-,17-/m1/s1
InChIKeyQUSRPNHOHXBBGE-NVXWUHKLSA-N
MW424.73 g/mol
LogP4.27
Rot. Bonds4

About 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide

3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide (PubChem CID 118486060) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide
PubChem CID118486060
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC Name3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccncc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c19-11-5-6-14(13(20)9-11)22-16-10-21-8-7-12(16)18(25)23-15-3-1-2-4-17(15)24/h5-10,15,17,22,24H,1-4H2,(H,23,25)/t15-,17-/m1/s1
InChIKeyQUSRPNHOHXBBGE-NVXWUHKLSA-N
XLogP4.27
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2-chloroanilino)-N-[(1S)-2,3-dihydroxycyclohexyl]pyridine-4-carboxamide
CID 143938921
3-(4-bromo-2-fluoroanilino)-N-(2,3-dihydroxycyclohexyl)pyridine-4-carboxamide
CID 67081470
1-[3-(4-bromo-2-chloroanilino)-4-pyridinyl]-4-(2,3-dihydroxycyclohexyl)butan-1-one
CID 91574228
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide (CID 118486060) is 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1ccncc1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The InChIKey is QUSRPNHOHXBBGE-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c19-11-5-6-14(13(20)9-11)22-16-10-21-8-7-12(16)18(25)23-15-3-1-2-4-17(15)24/h5-10,15,17,22,24H,1-4H2,(H,23,25)/t15-,17-/m1/s1.
What are the key properties of 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide has a molecular weight of 424.73 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloroanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 118486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).