N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine

C14H22N4O3 — CID 94825522

IUPACN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
SMILESCC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-11(2)13(17-5-7-21-8-6-17)10-16-14-4-3-12(9-15-14)18(19)20/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyDOCMHBNOPQLUHD-ZDUSSCGKSA-N
MW294.35 g/mol
LogP1.76
Rot. Bonds6

About N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine

N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine (PubChem CID 94825522) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
PubChem CID94825522
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
SMILESCC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-11(2)13(17-5-7-21-8-6-17)10-16-14-4-3-12(9-15-14)18(19)20/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyDOCMHBNOPQLUHD-ZDUSSCGKSA-N
XLogP1.76
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.76
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-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-5-nitroimidazol-4-amine
CID 18156199
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-b]pyridazin-6-amine
CID 71850432
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
CID 94178641
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazin-2-amine
CID 47151480
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 113428773
5-nitro-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 124680383

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine (CID 94825522) is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine is CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine?
The InChIKey is DOCMHBNOPQLUHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11(2)13(17-5-7-21-8-6-17)10-16-14-4-3-12(9-15-14)18(19)20/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine?
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine has a molecular weight of 294.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 94825522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).