6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide

C20H26N6O — CID 133422716

IUPAC6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1
InChIInChI=1S/C20H26N6O/c21-20(27)18-12-22-13-19(24-18)23-11-15-3-5-17(6-4-15)26-9-7-25(8-10-26)14-16-1-2-16/h3-6,12-13,16H,1-2,7-11,14H2,(H2,21,27)(H,23,24)
InChIKeyJKGVXZJEKIUQIP-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.72
Rot. Bonds7

About 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide

6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide (PubChem CID 133422716) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide
PubChem CID133422716
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1
InChIInChI=1S/C20H26N6O/c21-20(27)18-12-22-13-19(24-18)23-11-15-3-5-17(6-4-15)26-9-7-25(8-10-26)14-16-1-2-16/h3-6,12-13,16H,1-2,7-11,14H2,(H2,21,27)(H,23,24)
InChIKeyJKGVXZJEKIUQIP-UHFFFAOYSA-N
XLogP1.72
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide (CID 133422716) is 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide is NC(=O)c1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1.
What is the InChIKey of 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide?
The InChIKey is JKGVXZJEKIUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c21-20(27)18-12-22-13-19(24-18)23-11-15-3-5-17(6-4-15)26-9-7-25(8-10-26)14-16-1-2-16/h3-6,12-13,16H,1-2,7-11,14H2,(H2,21,27)(H,23,24).
What are the key properties of 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide?
6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133422716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).