6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide

C17H19ClN4O2 — CID 111338627

IUPAC6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN4O2/c18-15-4-3-13(10-20-15)17(24)21-14-2-1-7-19-16(14)22-8-5-12(11-23)6-9-22/h1-4,7,10,12,23H,5-6,8-9,11H2,(H,21,24)
InChIKeyYAAUESUSVYHDLA-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.59
Rot. Bonds4

About 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide

6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 111338627) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID111338627
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN4O2/c18-15-4-3-13(10-20-15)17(24)21-14-2-1-7-19-16(14)22-8-5-12(11-23)6-9-22/h1-4,7,10,12,23H,5-6,8-9,11H2,(H,21,24)
InChIKeyYAAUESUSVYHDLA-UHFFFAOYSA-N
XLogP2.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
CID 95337144
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307637
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 134791512
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 50783439

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 111338627) is 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YAAUESUSVYHDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-15-4-3-13(10-20-15)17(24)21-14-2-1-7-19-16(14)22-8-5-12(11-23)6-9-22/h1-4,7,10,12,23H,5-6,8-9,11H2,(H,21,24).
What are the key properties of 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 111338627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).