N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine

C16H20N4O4 — CID 31882355

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine
SMILESCc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N2CCOCC2)o1
InChIInChI=1S/C16H20N4O4/c1-12-4-5-15(24-12)14(19-7-9-23-10-8-19)11-18-16-13(20(21)22)3-2-6-17-16/h2-6,14H,7-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyBGNYVUWUOTYAAD-CQSZACIVSA-N
MW332.36 g/mol
LogP2.38
Rot. Bonds6

About N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine

N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine (PubChem CID 31882355) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine
PubChem CID31882355
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine
SMILESCc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N2CCOCC2)o1
InChIInChI=1S/C16H20N4O4/c1-12-4-5-15(24-12)14(19-7-9-23-10-8-19)11-18-16-13(20(21)22)3-2-6-17-16/h2-6,14H,7-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyBGNYVUWUOTYAAD-CQSZACIVSA-N
XLogP2.38
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.38
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

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitroaniline
CID 134032103
2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 55523142
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
4-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitropyridin-2-amine
CID 133343420
N-[(4-chloro-3-nitrophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509324
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
CID 95134762
4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxamide
CID 133313540
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
methyl 2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-5-nitrobenzoate
CID 55533713

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine (CID 31882355) is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine is Cc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N2CCOCC2)o1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine?
The InChIKey is BGNYVUWUOTYAAD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-12-4-5-15(24-12)14(19-7-9-23-10-8-19)11-18-16-13(20(21)22)3-2-6-17-16/h2-6,14H,7-11H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine?
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine has a molecular weight of 332.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 31882355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).