N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine

C14H22N4O2 — CID 106620644

IUPACN-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
SMILESCC(C)CN(CC1CCCN1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(2)9-17(10-12-5-3-7-15-12)13-6-4-8-16-14(13)18(19)20/h4,6,8,11-12,15H,3,5,7,9-10H2,1-2H3
InChIKeyXESYYWUORLJZKF-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.20
Rot. Bonds6

About N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine

N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine (PubChem CID 106620644) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
PubChem CID106620644
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
SMILESCC(C)CN(CC1CCCN1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(2)9-17(10-12-5-3-7-15-12)13-6-4-8-16-14(13)18(19)20/h4,6,8,11-12,15H,3,5,7,9-10H2,1-2H3
InChIKeyXESYYWUORLJZKF-UHFFFAOYSA-N
XLogP2.20
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
CID 106620751

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine (CID 106620644) is N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine is CC(C)CN(CC1CCCN1)c1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The InChIKey is XESYYWUORLJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)9-17(10-12-5-3-7-15-12)13-6-4-8-16-14(13)18(19)20/h4,6,8,11-12,15H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 106620644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).