2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile

C14H21N5O2 — CID 62099704

IUPAC2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C14H21N5O2/c1-10(2)5-12(9-18(3)4)17-14-11(7-15)6-13(8-16-14)19(20)21/h6,8,10,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyRDYSLKZHRSIRRV-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.25
Rot. Bonds7

About 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile (PubChem CID 62099704) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
PubChem CID62099704
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C14H21N5O2/c1-10(2)5-12(9-18(3)4)17-14-11(7-15)6-13(8-16-14)19(20)21/h6,8,10,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyRDYSLKZHRSIRRV-UHFFFAOYSA-N
XLogP2.25
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
2-[4-(dimethylamino)butan-2-ylamino]-5-nitropyridine-3-carbonitrile
CID 55037209
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3-nitropyridine-4-carbonitrile
CID 82794892
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
2-(hex-5-yn-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 115657892
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-N-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 104507901
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-5-nitrobenzonitrile
CID 60565262
5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611914

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile (CID 62099704) is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile is CC(C)CC(CN(C)C)Nc1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is RDYSLKZHRSIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(2)5-12(9-18(3)4)17-14-11(7-15)6-13(8-16-14)19(20)21/h6,8,10,12H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile?
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 62099704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).