(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C22H27N5O3 — CID 158218856

IUPAC(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccoc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C22H23N5O3.2H2/c1-15-8-14-30-20(15)22(29)27-11-4-10-26(12-13-27)18-7-2-6-17(25-18)19(28)16-5-3-9-24-21(16)23;;/h2-3,5-9,14H,4,10-13H2,1H3,(H2,23,24);2*1H
InChIKeyGCZPINVNPWOUKX-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.04
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158218856) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158218856
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccoc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C22H23N5O3.2H2/c1-15-8-14-30-20(15)22(29)27-11-4-10-26(12-13-27)18-7-2-6-17(25-18)19(28)16-5-3-9-24-21(16)23;;/h2-3,5-9,14H,4,10-13H2,1H3,(H2,23,24);2*1H
InChIKeyGCZPINVNPWOUKX-UHFFFAOYSA-N
XLogP3.04
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(2-chlorophenyl)ethanone;molecular hydrogen
CID 158917234
(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157359647
1-[4-[6-(2-methylpyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-methylsulfonylethanone;molecular hydrogen
CID 159407685
[6-[4-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 158078760
(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993155
(2-amino-3-pyridinyl)-[6-[4-(cyclopropylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993479
tert-butyl 4-[6-(2-amino-5-phenylpyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
CID 160695960
(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995354
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159071801
(2-amino-3-pyridinyl)-[6-[3-(4-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 161079652

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 158218856) is (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen is Cc1ccoc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is GCZPINVNPWOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.2H2/c1-15-8-14-30-20(15)22(29)27-11-4-10-26(12-13-27)18-7-2-6-17(25-18)19(28)16-5-3-9-24-21(16)23;;/h2-3,5-9,14H,4,10-13H2,1H3,(H2,23,24);2*1H.
What are the key properties of (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 409.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158218856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).