3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine

C22H25N7 — CID 139333387

IUPAC3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26)
InChIKeyITWLSEDDUFDBAC-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.13
Rot. Bonds5

About 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine

3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine (PubChem CID 139333387) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine.

Molecular Properties

Compound Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
PubChem CID139333387
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
SMILESC=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26)
InChIKeyITWLSEDDUFDBAC-UHFFFAOYSA-N
XLogP3.13
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine with MolForge

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Related Compounds

SB-220025
CID 5164
VK-19911
CID 9797240
Jnj-38893777
CID 16742146
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
Pik-iii
CID 67983123
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
CID 49853203
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The IUPAC name of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine (CID 139333387) is 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine.
What is the SMILES notation for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The canonical SMILES for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine is C=C(Nc1cnccc1N1CCC(N)CC1)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
The InChIKey is ITWLSEDDUFDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-15(21-22(24)26-14-18(28-21)16-5-3-2-4-6-16)27-19-13-25-10-7-20(19)29-11-8-17(23)9-12-29/h2-7,10,13-14,17,27H,1,8-9,11-12,23H2,(H2,24,26).
What are the key properties of 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine?
3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine has a molecular weight of 387.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine is sourced from PubChem (CID 139333387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).