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

C14H20N4O2 — CID 106620104

IUPACN-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H20N4O2/c19-18(20)13-4-2-8-16-14(13)17(9-11-5-6-11)10-12-3-1-7-15-12/h2,4,8,11-12,15H,1,3,5-7,9-10H2
InChIKeySQZKBMINVKMKTF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds6

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

N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620104) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620104
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H20N4O2/c19-18(20)13-4-2-8-16-14(13)17(9-11-5-6-11)10-12-3-1-7-15-12/h2,4,8,11-12,15H,1,3,5-7,9-10H2
InChIKeySQZKBMINVKMKTF-UHFFFAOYSA-N
XLogP1.96
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
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

3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620134
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755
3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719994
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620104) is N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is SQZKBMINVKMKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-18(20)13-4-2-8-16-14(13)17(9-11-5-6-11)10-12-3-1-7-15-12/h2,4,8,11-12,15H,1,3,5-7,9-10H2.
What are the key properties of N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).