3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide

C19H29N5O2 — CID 90686255

IUPAC3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cnc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1)NO
InChIInChI=1S/C19H29N5O2/c25-18(23-26)9-8-16-11-20-19(21-12-16)22-17-7-4-10-24(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,26H,1-7,10,13-14H2,(H,23,25)(H,20,21,22)/t17-/m1/s1
InChIKeyGOQCAORLMGVYNJ-QGZVFWFLSA-N
MW359.47 g/mol
LogP2.45
Rot. Bonds6

About 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide

3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 90686255) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide
PubChem CID90686255
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cnc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1)NO
InChIInChI=1S/C19H29N5O2/c25-18(23-26)9-8-16-11-20-19(21-12-16)22-17-7-4-10-24(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,26H,1-7,10,13-14H2,(H,23,25)(H,20,21,22)/t17-/m1/s1
InChIKeyGOQCAORLMGVYNJ-QGZVFWFLSA-N
XLogP2.45
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide (CID 90686255) is 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cnc(N[C@@H]2CCCN(CC3CCCCC3)C2)nc1)NO.
What is the InChIKey of 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is GOQCAORLMGVYNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(23-26)9-8-16-11-20-19(21-12-16)22-17-7-4-10-24(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17,26H,1-7,10,13-14H2,(H,23,25)(H,20,21,22)/t17-/m1/s1.
What are the key properties of 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide?
3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 90686255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).