2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C22H20N6O2 — CID 59569340

IUPAC2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C22H20N6O2/c29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20/h1-8,13-14,23H,9-12H2,(H,27,29)
InChIKeyRTTLHMTUJYIABA-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 59569340) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID59569340
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C22H20N6O2/c29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20/h1-8,13-14,23H,9-12H2,(H,27,29)
InChIKeyRTTLHMTUJYIABA-UHFFFAOYSA-N
XLogP2.95
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569287
2-[(2-fluorophenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569228
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569248
6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 143750721
6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174250
[4-[3-[[2-(1-benzofuran-5-yl)pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazin-1-yl]-methylborinic acid
CID 59569543
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
2-[5-methoxy-6-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569232
6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25176017

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 59569340) is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is RTTLHMTUJYIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(27-17-14-24-7-6-18(17)28-11-9-23-10-12-28)16-5-8-25-21(26-16)20-13-15-3-1-2-4-19(15)30-20/h1-8,13-14,23H,9-12H2,(H,27,29).
What are the key properties of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59569340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).