2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde

C12H18ClN3O — CID 174930186

IUPAC2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde
SMILESC=O.CNc1cc(Cl)ncc1C1CCCN1C
InChIInChI=1S/C11H16ClN3.CH2O/c1-13-9-6-11(12)14-7-8(9)10-4-3-5-15(10)2;1-2/h6-7,10H,3-5H2,1-2H3,(H,13,14);1H2
InChIKeyBVXHNFGMIJMFHA-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde

2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde (PubChem CID 174930186) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde
PubChem CID174930186
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde
SMILESC=O.CNc1cc(Cl)ncc1C1CCCN1C
InChIInChI=1S/C11H16ClN3.CH2O/c1-13-9-6-11(12)14-7-8(9)10-4-3-5-15(10)2;1-2/h6-7,10H,3-5H2,1-2H3,(H,13,14);1H2
InChIKeyBVXHNFGMIJMFHA-UHFFFAOYSA-N
XLogP2.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-5-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
CID 174753135
3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522801
2-[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]isoquinolin-1-one
CID 132535313
[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]-dinaphthalen-1-ylphosphane
CID 76796467
[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
CID 58651658
[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]-hepta-2,4,6-trien-3-yl-phenylphosphane
CID 91561420
6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine
CID 171474799
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
CID 117105735
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
CID 158698333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde?
The IUPAC name of 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde (CID 174930186) is 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde.
What is the SMILES notation for 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde?
The canonical SMILES for 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde is C=O.CNc1cc(Cl)ncc1C1CCCN1C.
What is the InChIKey of 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde?
The InChIKey is BVXHNFGMIJMFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3.CH2O/c1-13-9-6-11(12)14-7-8(9)10-4-3-5-15(10)2;1-2/h6-7,10H,3-5H2,1-2H3,(H,13,14);1H2.
What are the key properties of 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde?
2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde has a molecular weight of 255.75 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde is sourced from PubChem (CID 174930186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).