(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide

C20H29FN4O2 — CID 87638448

IUPAC(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide
SMILESO=C(NO)/C(F)=C/c1ccc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1
InChIInChI=1S/C20H29FN4O2/c21-18(20(26)24-27)11-16-8-9-19(22-12-16)23-17-7-4-10-25(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,27H,1-7,10,13-14H2,(H,22,23)(H,24,26)/b18-11-/t17-/m1/s1
InChIKeySAVNMAZUDQAZER-LVSMMTLPSA-N
MW376.48 g/mol
LogP3.35
Rot. Bonds6

About (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide

(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide (PubChem CID 87638448) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide
PubChem CID87638448
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide
SMILESO=C(NO)/C(F)=C/c1ccc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1
InChIInChI=1S/C20H29FN4O2/c21-18(20(26)24-27)11-16-8-9-19(22-12-16)23-17-7-4-10-25(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,27H,1-7,10,13-14H2,(H,22,23)(H,24,26)/b18-11-/t17-/m1/s1
InChIKeySAVNMAZUDQAZER-LVSMMTLPSA-N
XLogP3.35
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide with MolForge

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Related Compounds

3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91180936
ethyl (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-fluoroprop-2-enoate
CID 86603702
3-[6-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide;dihydrochloride
CID 173125089
acetic acid;(E)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87636807
(E)-3-[6-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87789937
3-[6-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide
CID 91178498
(Z)-2-fluoro-N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 87637083
2-fluoro-N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 173124917
6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 95894858
6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 95894857
(Z)-3-[5-chloro-6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68961945
3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide
CID 90686255

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide?
The IUPAC name of (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide (CID 87638448) is (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide.
What is the SMILES notation for (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide?
The canonical SMILES for (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide is O=C(NO)/C(F)=C/c1ccc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1.
What is the InChIKey of (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide?
The InChIKey is SAVNMAZUDQAZER-LVSMMTLPSA-N. The full InChI is InChI=1S/C20H29FN4O2/c21-18(20(26)24-27)11-16-8-9-19(22-12-16)23-17-7-4-10-25(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,27H,1-7,10,13-14H2,(H,22,23)(H,24,26)/b18-11-/t17-/m1/s1.
What are the key properties of (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide?
(Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).