2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine

C17H17ClN4 — CID 144958003

IUPAC2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine
SMILES[H]/N=C/c1c(NCc2ccc3c(c2)cc(C)n3C)ccnc1Cl
InChIInChI=1S/C17H17ClN4/c1-11-7-13-8-12(3-4-16(13)22(11)2)10-21-15-5-6-20-17(18)14(15)9-19/h3-9,19H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyGIOIFRHAKZJCRR-DJKKODMXSA-N
MW312.80 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine

2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine (PubChem CID 144958003) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine
PubChem CID144958003
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine
SMILES[H]/N=C/c1c(NCc2ccc3c(c2)cc(C)n3C)ccnc1Cl
InChIInChI=1S/C17H17ClN4/c1-11-7-13-8-12(3-4-16(13)22(11)2)10-21-15-5-6-20-17(18)14(15)9-19/h3-9,19H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyGIOIFRHAKZJCRR-DJKKODMXSA-N
XLogP4.14
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine
CID 118482106
2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118508633
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine
CID 166364340
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine
CID 88890566
N-[(4-amino-3-methanimidoylphenyl)methyl]-2-chloropyrimidin-4-amine
CID 163891313
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 4299391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine?
The IUPAC name of 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine (CID 144958003) is 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine is [H]/N=C/c1c(NCc2ccc3c(c2)cc(C)n3C)ccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine?
The InChIKey is GIOIFRHAKZJCRR-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-11-7-13-8-12(3-4-16(13)22(11)2)10-21-15-5-6-20-17(18)14(15)9-19/h3-9,19H,10H2,1-2H3,(H,20,21)/b19-9+.
What are the key properties of 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine?
2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine is sourced from PubChem (CID 144958003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).