5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine

C15H22N4O3 — CID 94178641

IUPAC5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)nc1
InChIInChI=1S/C15H22N4O3/c20-19(21)13-3-4-15(16-9-13)17-10-14(12-5-8-22-11-12)18-6-1-2-7-18/h3-4,9,12,14H,1-2,5-8,10-11H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyNIVMVRMPASJWCZ-GXTWGEPZSA-N
MW306.37 g/mol
LogP1.90
Rot. Bonds6

About 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine

5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine (PubChem CID 94178641) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
PubChem CID94178641
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)nc1
InChIInChI=1S/C15H22N4O3/c20-19(21)13-3-4-15(16-9-13)17-10-14(12-5-8-22-11-12)18-6-1-2-7-18/h3-4,9,12,14H,1-2,5-8,10-11H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyNIVMVRMPASJWCZ-GXTWGEPZSA-N
XLogP1.90
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.90
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

3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
CID 94824919
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid
CID 42943745
5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113243988
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
CID 94825522
3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 42943744
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 94811571
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090989
4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide
CID 31657724

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine (CID 94178641) is 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)nc1.
What is the InChIKey of 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine?
The InChIKey is NIVMVRMPASJWCZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-19(21)13-3-4-15(16-9-13)17-10-14(12-5-8-22-11-12)18-6-1-2-7-18/h3-4,9,12,14H,1-2,5-8,10-11H2,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine?
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine is sourced from PubChem (CID 94178641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).