N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide

C18H21ClN4O2 — CID 57398054

IUPACN-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCN(CO)CC1
InChIInChI=1S/C18H21ClN4O2/c19-13-3-1-4-15(11-13)22-18(25)16-5-2-8-20-17(16)21-14-6-9-23(12-24)10-7-14/h1-5,8,11,14,24H,6-7,9-10,12H2,(H,20,21)(H,22,25)
InChIKeyVOUPFUBYLLOTKE-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.81
Rot. Bonds5

About N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide

N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 57398054) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID57398054
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCN(CO)CC1
InChIInChI=1S/C18H21ClN4O2/c19-13-3-1-4-15(11-13)22-18(25)16-5-2-8-20-17(16)21-14-6-9-23(12-24)10-7-14/h1-5,8,11,14,24H,6-7,9-10,12H2,(H,20,21)(H,22,25)
InChIKeyVOUPFUBYLLOTKE-UHFFFAOYSA-N
XLogP2.81
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 57398054) is N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCN(CO)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is VOUPFUBYLLOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-13-3-1-4-15(11-13)22-18(25)16-5-2-8-20-17(16)21-14-6-9-23(12-24)10-7-14/h1-5,8,11,14,24H,6-7,9-10,12H2,(H,20,21)(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 57398054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).