N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C14H20N4O2 — CID 106620134

IUPACN-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(N(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C14H20N4O2/c19-18(20)13-5-7-16-14(8-13)17(9-11-3-4-11)10-12-2-1-6-15-12/h5,7-8,11-12,15H,1-4,6,9-10H2
InChIKeyNHBIKHDPHOBYED-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds6

About N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620134) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620134
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(N(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C14H20N4O2/c19-18(20)13-5-7-16-14(8-13)17(9-11-3-4-11)10-12-2-1-6-15-12/h5,7-8,11-12,15H,1-4,6,9-10H2
InChIKeyNHBIKHDPHOBYED-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

N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600259
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
2-methyl-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619611
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164338
2-chloro-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619709
N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620883
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620134) is N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1ccnc(N(CC2CC2)CC2CCCN2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is NHBIKHDPHOBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-18(20)13-5-7-16-14(8-13)17(9-11-3-4-11)10-12-2-1-6-15-12/h5,7-8,11-12,15H,1-4,6,9-10H2.
What are the key properties of N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-(cyclopropylmethyl)-4-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)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).