3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine

C14H23N5O2 — CID 79827982

IUPAC3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
SMILESCC(C)NCC1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C14H23N5O2/c1-10(2)16-8-11-4-3-7-18(9-11)13-6-5-12(19(20)21)14(15)17-13/h5-6,10-11,16H,3-4,7-9H2,1-2H3,(H2,15,17)
InChIKeyQGIFKQFKULLDGA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.79
Rot. Bonds5

About 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine

3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine (PubChem CID 79827982) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
PubChem CID79827982
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
SMILESCC(C)NCC1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C14H23N5O2/c1-10(2)16-8-11-4-3-7-18(9-11)13-6-5-12(19(20)21)14(15)17-13/h5-6,10-11,16H,3-4,7-9H2,1-2H3,(H2,15,17)
InChIKeyQGIFKQFKULLDGA-UHFFFAOYSA-N
XLogP1.79
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
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

1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
N-[[1-(2-bromo-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241451
N-[[1-(2-chloro-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241404

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine?
The IUPAC name of 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine (CID 79827982) is 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine is CC(C)NCC1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1.
What is the InChIKey of 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine?
The InChIKey is QGIFKQFKULLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)16-8-11-4-3-7-18(9-11)13-6-5-12(19(20)21)14(15)17-13/h5-6,10-11,16H,3-4,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine?
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 79827982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).