1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide

C14H17N5O — CID 107588651

IUPAC1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESO=C(Nc1cncnc1)c1cccn1C1CCNCC1
InChIInChI=1S/C14H17N5O/c20-14(18-11-8-16-10-17-9-11)13-2-1-7-19(13)12-3-5-15-6-4-12/h1-2,7-10,12,15H,3-6H2,(H,18,20)
InChIKeyCLBBYBMTGJLFHB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.45
Rot. Bonds3

About 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide

1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide (PubChem CID 107588651) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
PubChem CID107588651
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESO=C(Nc1cncnc1)c1cccn1C1CCNCC1
InChIInChI=1S/C14H17N5O/c20-14(18-11-8-16-10-17-9-11)13-2-1-7-19(13)12-3-5-15-6-4-12/h1-2,7-10,12,15H,3-6H2,(H,18,20)
InChIKeyCLBBYBMTGJLFHB-UHFFFAOYSA-N
XLogP1.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide (CID 107588651) is 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide is O=C(Nc1cncnc1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The InChIKey is CLBBYBMTGJLFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(18-11-8-16-10-17-9-11)13-2-1-7-19(13)12-3-5-15-6-4-12/h1-2,7-10,12,15H,3-6H2,(H,18,20).
What are the key properties of 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide is sourced from PubChem (CID 107588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).