6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

C16H19N5O3 — CID 56918580

IUPAC6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)c1cccc(CO)n1
InChIInChI=1S/C16H19N5O3/c22-10-12-2-1-3-14(20-12)16(23)17-9-13-8-15(19-11-18-13)21-4-6-24-7-5-21/h1-3,8,11,22H,4-7,9-10H2,(H,17,23)
InChIKeyMMXRGWQENCDYSR-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.13
Rot. Bonds5

About 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 56918580) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID56918580
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)c1cccc(CO)n1
InChIInChI=1S/C16H19N5O3/c22-10-12-2-1-3-14(20-12)16(23)17-9-13-8-15(19-11-18-13)21-4-6-24-7-5-21/h1-3,8,11,22H,4-7,9-10H2,(H,17,23)
InChIKeyMMXRGWQENCDYSR-UHFFFAOYSA-N
XLogP0.13
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (CID 56918580) is 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is O=C(NCc1cc(N2CCOCC2)ncn1)c1cccc(CO)n1.
What is the InChIKey of 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is MMXRGWQENCDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-10-12-2-1-3-14(20-12)16(23)17-9-13-8-15(19-11-18-13)21-4-6-24-7-5-21/h1-3,8,11,22H,4-7,9-10H2,(H,17,23).
What are the key properties of 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56918580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).