4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide

C22H24N4O3 — CID 68536358

IUPAC4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)ccc3c2)ccn1
InChIInChI=1S/C22H24N4O3/c23-22(28)19-11-14(9-10-24-19)13-29-16-6-7-17-15(12-16)5-8-21(25-17)26-18-3-1-2-4-20(18)27/h5-12,18,20,27H,1-4,13H2,(H2,23,28)(H,25,26)/t18-,20-/m1/s1
InChIKeyYFAJGPSTIRNJFN-UYAOXDASSA-N
MW392.46 g/mol
LogP3.02
Rot. Bonds6

About 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide

4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 68536358) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID68536358
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)ccc3c2)ccn1
InChIInChI=1S/C22H24N4O3/c23-22(28)19-11-14(9-10-24-19)13-29-16-6-7-17-15(12-16)5-8-21(25-17)26-18-3-1-2-4-20(18)27/h5-12,18,20,27H,1-4,13H2,(H2,23,28)(H,25,26)/t18-,20-/m1/s1
InChIKeyYFAJGPSTIRNJFN-UYAOXDASSA-N
XLogP3.02
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91241125
(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169566
4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 90947284
4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91027068
4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 123476978
4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 91288953
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
CID 63883286
trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
CID 99857876
4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide
CID 90729320
4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 91196797
4-[[2-(4-bromo-3-fluoroanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 91251699

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide (CID 68536358) is 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)ccc3c2)ccn1.
What is the InChIKey of 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is YFAJGPSTIRNJFN-UYAOXDASSA-N. The full InChI is InChI=1S/C22H24N4O3/c23-22(28)19-11-14(9-10-24-19)13-29-16-6-7-17-15(12-16)5-8-21(25-17)26-18-3-1-2-4-20(18)27/h5-12,18,20,27H,1-4,13H2,(H2,23,28)(H,25,26)/t18-,20-/m1/s1.
What are the key properties of 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide?
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 68536358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).