3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine

C16H24N4O4 — CID 94824919

IUPAC3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C16H24N4O4/c1-12-8-14(20(21)22)9-17-16(12)18-10-15(13-2-5-24-11-13)19-3-6-23-7-4-19/h8-9,13,15H,2-7,10-11H2,1H3,(H,17,18)/t13-,15-/m0/s1
InChIKeyCYIFFNTZSLRGTN-ZFWWWQNUSA-N
MW336.39 g/mol
LogP1.45
Rot. Bonds6

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

3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine (PubChem CID 94824919) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
PubChem CID94824919
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C16H24N4O4/c1-12-8-14(20(21)22)9-17-16(12)18-10-15(13-2-5-24-11-13)19-3-6-23-7-4-19/h8-9,13,15H,2-7,10-11H2,1H3,(H,17,18)/t13-,15-/m0/s1
InChIKeyCYIFFNTZSLRGTN-ZFWWWQNUSA-N
XLogP1.45
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 42943744
2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid
CID 42943745
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
CID 94178641
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide
CID 31657724
1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 31658205
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
CID 62476863
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
2-[[(3-methyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226438
3-methyl-N-[(2-methyloxolan-3-yl)methyl]-5-nitropyridin-2-amine
CID 114106325

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine (CID 94824919) is 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine?
The InChIKey is CYIFFNTZSLRGTN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-12-8-14(20(21)22)9-17-16(12)18-10-15(13-2-5-24-11-13)19-3-6-23-7-4-19/h8-9,13,15H,2-7,10-11H2,1H3,(H,17,18)/t13-,15-/m0/s1.
What are the key properties of 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine?
3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine has a molecular weight of 336.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 94824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).