N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide

C11H11N5O2 — CID 70599194

IUPACN-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide
SMILESCc1ccc(Cc2cnc(N[N+](=O)[O-])nc2)cn1
InChIInChI=1S/C11H11N5O2/c1-8-2-3-9(5-12-8)4-10-6-13-11(14-7-10)15-16(17)18/h2-3,5-7H,4H2,1H3,(H,13,14,15)
InChIKeyKOGQTHDUTYJMJO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.37
Rot. Bonds4

About N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide

N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide (PubChem CID 70599194) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide.

Molecular Properties

Compound NameN-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide
PubChem CID70599194
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide
SMILESCc1ccc(Cc2cnc(N[N+](=O)[O-])nc2)cn1
InChIInChI=1S/C11H11N5O2/c1-8-2-3-9(5-12-8)4-10-6-13-11(14-7-10)15-16(17)18/h2-3,5-7H,4H2,1H3,(H,13,14,15)
InChIKeyKOGQTHDUTYJMJO-UHFFFAOYSA-N
XLogP1.37
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[4-[(dimethylamino)methyl]phenyl]methyl]pyrimidin-2-yl]nitramide
CID 70490743
5-ethyl-2-methylpyridine;nitric acid
CID 157098676
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62995614
bis[2-[(6-methyl-3-pyridinyl)methyl]-4-nitrophenyl] carbonate
CID 141265764
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959
1,3-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 60965735
ethane;2-methyl-5-nitropyridine
CID 123657002
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
CID 139319025
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-nitroaniline
CID 55141890
4-N-[(6-methyl-3-pyridinyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80831700
2-(6-methyl-3-pyridinyl)-N'-pyrimidin-2-ylacetohydrazide
CID 47338470
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide?
The IUPAC name of N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide (CID 70599194) is N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide.
What is the SMILES notation for N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide?
The canonical SMILES for N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide is Cc1ccc(Cc2cnc(N[N+](=O)[O-])nc2)cn1.
What is the InChIKey of N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide?
The InChIKey is KOGQTHDUTYJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-8-2-3-9(5-12-8)4-10-6-13-11(14-7-10)15-16(17)18/h2-3,5-7H,4H2,1H3,(H,13,14,15).
What are the key properties of N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide?
N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide has a molecular weight of 245.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-methyl-3-pyridinyl)methyl]pyrimidin-2-yl]nitramide is sourced from PubChem (CID 70599194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).