5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

C19H23N7O2 — CID 5154885

IUPAC5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESCN(CCO)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C1CCCC1
InChIInChI=1S/C19H23N7O2/c1-25(6-7-27)18-12(9-20)14-11-8-13(28)26(10-4-2-3-5-10)19(11)24-17(22)15(14)16(21)23-18/h10,27H,2-8H2,1H3,(H2,21,23)(H2,22,24)
InChIKeyAWBLKDRONVPNIB-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.93
Rot. Bonds4

About 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (PubChem CID 5154885) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.

Molecular Properties

Compound Name5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
PubChem CID5154885
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESCN(CCO)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C1CCCC1
InChIInChI=1S/C19H23N7O2/c1-25(6-7-27)18-12(9-20)14-11-8-13(28)26(10-4-2-3-5-10)19(11)24-17(22)15(14)16(21)23-18/h10,27H,2-8H2,1H3,(H2,21,23)(H2,22,24)
InChIKeyAWBLKDRONVPNIB-UHFFFAOYSA-N
XLogP0.93
TPSA145.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The IUPAC name of 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (CID 5154885) is 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.
What is the SMILES notation for 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The canonical SMILES for 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is CN(CCO)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C1CCCC1.
What is the InChIKey of 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The InChIKey is AWBLKDRONVPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-25(6-7-27)18-12(9-20)14-11-8-13(28)26(10-4-2-3-5-10)19(11)24-17(22)15(14)16(21)23-18/h10,27H,2-8H2,1H3,(H2,21,23)(H2,22,24).
What are the key properties of 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-cyclopentyl-8-[2-hydroxyethyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is sourced from PubChem (CID 5154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).