2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide

C18H30N4O2 — CID 171359720

IUPAC2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(NCCCN2CCCC[C@@H]2CO)c1
InChIInChI=1S/C18H30N4O2/c1-14(2)21-18(24)15-7-9-20-17(12-15)19-8-5-11-22-10-4-3-6-16(22)13-23/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m1/s1
InChIKeyUBFOIHLIERNOFM-MRXNPFEDSA-N
MW334.46 g/mol
LogP1.87
Rot. Bonds8

About 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide

2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 171359720) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID171359720
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(NCCCN2CCCC[C@@H]2CO)c1
InChIInChI=1S/C18H30N4O2/c1-14(2)21-18(24)15-7-9-20-17(12-15)19-8-5-11-22-10-4-3-6-16(22)13-23/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m1/s1
InChIKeyUBFOIHLIERNOFM-MRXNPFEDSA-N
XLogP1.87
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide (CID 171359720) is 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(NCCCN2CCCC[C@@H]2CO)c1.
What is the InChIKey of 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is UBFOIHLIERNOFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)21-18(24)15-7-9-20-17(12-15)19-8-5-11-22-10-4-3-6-16(22)13-23/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m1/s1.
What are the key properties of 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide?
2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 171359720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).