1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C20H27N7O2 — CID 136536514

IUPAC1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H27N7O2/c21-19(28)15-3-6-27(7-4-15)20-16(2-1-5-22-20)13-23-17-12-18(25-14-24-17)26-8-10-29-11-9-26/h1-2,5,12,14-15H,3-4,6-11,13H2,(H2,21,28)(H,23,24,25)
InChIKeyAGTXFCAOOMOQEZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.02
Rot. Bonds6

About 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 136536514) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID136536514
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H27N7O2/c21-19(28)15-3-6-27(7-4-15)20-16(2-1-5-22-20)13-23-17-12-18(25-14-24-17)26-8-10-29-11-9-26/h1-2,5,12,14-15H,3-4,6-11,13H2,(H2,21,28)(H,23,24,25)
InChIKeyAGTXFCAOOMOQEZ-UHFFFAOYSA-N
XLogP1.02
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 136536514) is 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is AGTXFCAOOMOQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c21-19(28)15-3-6-27(7-4-15)20-16(2-1-5-22-20)13-23-17-12-18(25-14-24-17)26-8-10-29-11-9-26/h1-2,5,12,14-15H,3-4,6-11,13H2,(H2,21,28)(H,23,24,25).
What are the key properties of 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 136536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).