2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C18H24N4O2 — CID 110085310

IUPAC2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C2CCN(C(=O)C3CC34CCC4)CC2)nc1N
InChIInChI=1S/C18H24N4O2/c19-15-12(16(20)23)2-3-14(21-15)11-4-8-22(9-5-11)17(24)13-10-18(13)6-1-7-18/h2-3,11,13H,1,4-10H2,(H2,19,21)(H2,20,23)
InChIKeyTXGHKVWZRITRFI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110085310) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110085310
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C2CCN(C(=O)C3CC34CCC4)CC2)nc1N
InChIInChI=1S/C18H24N4O2/c19-15-12(16(20)23)2-3-14(21-15)11-4-8-22(9-5-11)17(24)13-10-18(13)6-1-7-18/h2-3,11,13H,1,4-10H2,(H2,19,21)(H2,20,23)
InChIKeyTXGHKVWZRITRFI-UHFFFAOYSA-N
XLogP1.66
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 110085310) is 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is NC(=O)c1ccc(C2CCN(C(=O)C3CC34CCC4)CC2)nc1N.
What is the InChIKey of 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is TXGHKVWZRITRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-15-12(16(20)23)2-3-14(21-15)11-4-8-22(9-5-11)17(24)13-10-18(13)6-1-7-18/h2-3,11,13H,1,4-10H2,(H2,19,21)(H2,20,23).
What are the key properties of 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110085310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).