methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate

C19H22N4O2 — CID 135308320

IUPACmethyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3ccn(CCCCCN)c3cn2)c1
InChIInChI=1S/C19H22N4O2/c1-25-19(24)15-5-8-21-16(12-15)17-11-14-6-10-23(18(14)13-22-17)9-4-2-3-7-20/h5-6,8,10-13H,2-4,7,9,20H2,1H3
InChIKeyQRAOZOJPMZPQSN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate

methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate (PubChem CID 135308320) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate
PubChem CID135308320
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namemethyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3ccn(CCCCCN)c3cn2)c1
InChIInChI=1S/C19H22N4O2/c1-25-19(24)15-5-8-21-16(12-15)17-11-14-6-10-23(18(14)13-22-17)9-4-2-3-7-20/h5-6,8,10-13H,2-4,7,9,20H2,1H3
InChIKeyQRAOZOJPMZPQSN-UHFFFAOYSA-N
XLogP3.01
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-octylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylate
CID 135308411
methyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate
CID 135308475
6-pyrrolo[2,3-c]pyridin-1-ylhexan-1-amine
CID 139389752
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate
CID 135308157
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 70895468

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate (CID 135308320) is methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cc3ccn(CCCCCN)c3cn2)c1.
What is the InChIKey of methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate?
The InChIKey is QRAOZOJPMZPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-19(24)15-5-8-21-16(12-15)17-11-14-6-10-23(18(14)13-22-17)9-4-2-3-7-20/h5-6,8,10-13H,2-4,7,9,20H2,1H3.
What are the key properties of methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate?
methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-aminopentyl)pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylate is sourced from PubChem (CID 135308320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).